Application – Page 190

L-cystine

Published by BDMAEE on 2024-05-28 | Permalink

L-cystine structural formula

Structural formula

Business number	0183
Molecular formula	C6H12N2O4S2
Molecular weight	240.3
label	(R,R)-3,3′-dithiobis(2-aminopropionic acid), Dithioaminopropionic acid, Bis-beta-thioalanine, disulfidealanine, (R,R)-3,3′-Dithiobis(2-aminopropionicacid), Cystine, L-Dicysteine, (R,R)-(-)Cystine, L-cystinic acid, biochemical reagents, intermediates, amino acids

Numbering system

CAS number:56-89-3

MDL number:MFCD00064228

EINECS number:200-296-3

RTECS number:HA2690000

BRN number:1728094

PubChem number:24893101

Physical property data

1. Properties: White hexagonal plate-shaped crystals or crystalline powder. Odorless and tasteless.

2. Density (g/mL, 25/4℃): 1.677

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): point 260~261℃ (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): [α]D20 -223.4° (C=1, in 1mol/L hydrochloric acid).

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% ,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Soluble in dilute acid and alkaline solutions, Very slightly soluble in water, insoluble in ethanol, ether, benzene and chloroform.

Toxicological data

1. Acute toxicity: Rat oral LD50: 25mg/kg2.Other multiple dose toxicity: rat oral TDLo: 279mg/kg/93D-C

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 55.95

2. Molar volume (cm³/mol): 152.8

3. Isotonic specific volume (90.2K): 468.6

4. Surface tension (dyne/cm): 88.2

5. Polarizability (10^-24cm³): 22.18

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -6.3

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 8

p>

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 177

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 192

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stable properties under normal temperature and pressure.

2. Found in tobacco leaves.

3. Widely found in hair, hair, bones and horns.

4. There are three isomers: left-handed body, right-handed body and racemate.

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

1. L-cystine was discovered in 1810 by Wollaston from bladder stones. In 1832, Berzelius named it cystine. It is a sulfur-containing amino acid that exists in small amounts in proteins, mostly in the keratin of hair, fingers and claws. It can also be obtained synthetically. Industrially extracted from hair, the yield can reach 7.5-8%. In actual production, some only reach 5%.
2.Hydrolyze pig hair in hydrochloric acid, filter to remove impurities, crystallize to obtain crude product, add activated carbon for decolorization and decolorizationPrepared from iron, washing and drying.

3.

Add 720kg of hydrochloric acid with a concentration of 10mol/L into the hydrolysis tank and heat it to 70~80℃. Quickly add 400kg of human hair or pig, continue to heat to 100℃, and raise the temperature to 110~117℃ within 1~1.5h, hydrolyze for 6.5~7h (from 100℃), cool and filter. Add 30% to 40% industrial sodium hydroxide solution to the filtrate under stirring. When the pH value reaches 3.0, add alkali solution at a slow speed until the pH value is 4.8. Leave it for 36 hours, separate the precipitate, and centrifuge to dryness to obtain bladder. Crude acid product (I), the mother liquor contains glutamic acid, arginine and leucine, etc. Weigh 150kg of crude cystine (I), add about 90kg of 10mol/L hydrochloric acid and 360kg of water, heat to 65~70°C, stir and dissolve for 0.5h, then add 12kg of activated carbon, heat to 80~90°C, and keep warm for 0.5h. Plate and frame filter press. Heat the filtrate to 80-85°C, add 30% sodium hydroxide while stirring, and stop when the pH reaches 4.8. Let it stand for the crystals to precipitate, siphon the supernatant, separate the bottom precipitate, and then centrifuge and spin dry to obtain crude cystine (II). Weigh 100kg of crude cystine (II), add 500L of 1mol/L hydrochloric acid, heat to 70°C, and then add 3 to 5kg of activated carbon. Then the temperature was raised to 85°C, kept stirred for 0.5h, and plate and frame filtered. Add distilled water about 1.5 times the volume of the filtrate to the filtrate, heat it to 75-80°C, and neutralize it with 12% ammonia water to pH 3.5-4.0 while stirring. At this time, cystine crystals will precipitate. The crystals are centrifuged to dryness, washed with distilled water until there is no chloride ion, and vacuum dried to obtain the finished product of cystine. The yield of human hair can reach 8%, and the yield of pig hair can reach 5%.

Purpose

1. Used for biochemical research. Preparation of biological culture media. It is used in biochemistry and nutrition research. In medicine, it can promote the oxidation and reduction functions of body cells, increase white blood cells and prevent the development of pathogenic bacteria. Mainly used for various types of alopecia. It is also used for acute infectious diseases such as dysentery, typhoid, and influenza, asthma, neuralgia, eczema, and various poisoning diseases, and has the effect of maintaining protein configuration. Also used as food flavoring.

2.Biochemical reagents, used for the preparation of biological culture media. It is also an important component of amino acid infusion and complex amino acid preparations.

3.Used as feed nutritional fortifier, it is beneficial to animal development, increases body weight and liver and kidney function, and improves fur quality.

4.Can be used as a cosmetic additive, which can promote wound healing, prevent skin allergies and treat eczema.

L-cystathionine

Published by BDMAEE on 2024-05-28 | Permalink

L-cystathionine structural formula

Structural formula

Business number	0182
Molecular formula	C7H14N2O4S
Molecular weight	222.26
label	(R)-S-(2-amino-2-carboxyethyl)-L-cysteine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine

Numbering system

CAS number:56-88-2

MDL number:MFCD00036685

EINECS number:200-295-8

RTECS number:None

BRN number:2505200

PubChem number:24892965

Physical property data

1. Character: Crystal.

2. Density (g/mL,25/4℃) ： Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 240 ～250℃（262~263℃).

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): undetermined

7. Refractive index: not OK

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK

11. Vapor Pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): not OK

19. Solubility: Not available Sure.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 52.59

2. Molar volume (m³/mol）：155.4

3. Isotonic specific volume (90.2K):457.7

4. Surface Tension (dyne/cm):75.2

5. Polarizability（10^-24cm³): 20.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -6

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 7

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):127

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 212

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

Generated by the interaction of o-succinyl homoserine and cysteine. Cystathionine is cystathionine beta–Lyase removes pyruvate and NH3generates homocysteine.

Purpose

For biochemical research.

L-lysine

Published by BDMAEE on 2024-05-28 | Permalink

L-lysine structural formula

Structural formula

Business number	0181
Molecular formula	C6H14N2O2
Molecular weight	146.19
label	(S)-2,6-diaminocaproic acid, (S)-2,6-Diaminocaproic acid, (S)-(+)-Lysine, amino acid drugs, intermediates, Biochemical reagents

Numbering system

CAS number:56-87-1

MDL number:MFCD00064433

EINECS number:200-294-2

RTECS number:OL5540000

BRN number:1722531

PubChem number:24896404

Physical property data

1. Properties: Colorless needle-like crystals or crystalline powder. Optically active.

2. Density (g/mL, 25/4℃): 1.125

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): It turns black when heated to 210℃ and decomposes at 224.5℃.

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): α]D20 +14.6° (C=6.5, in water), [ α]D23+25.9° (C=2, in 6mol/L hydrochloric acid)

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure ( kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient pair Value: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: hygroscopic. Very soluble in water, slightly soluble in ethanol, almost insoluble in ether.

Toxicological data

1. Reproductive toxicity: Oral TDLo of female rats: 138mg/kg, conception takes 5-15 days; Oral TDLo of female rats: 72450mg/kg, conception takes 10-20 days; Oral TDLo of female rats: 90450mg/kg, Conception occurs after 10-20 days; oral TDLo for female rats: 81 mg/kg, conception occurs after 10-20 days; intraperitoneal TDLo for female rats: 44 mg/kg, conception occurs after 5-15 days 2. Mutagenicity: sister chromatid exchangeTEST system : Human lymphocytes: <SPAN lang=E BODY

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 38.43

2. Molar volume (cm³/mol): 129.9

3. Isotonic specific volume (90.2K ): 348.1

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 15.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 89.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Found in tobacco leaves.

Storage method

This product should be sealed and stored dry and below 0℃.

Synthesis method

1. L-lysine is generally supplied to the market as L-lysine hydrochloride [657-27-2]. Free L-lysine is easily deliquescent and prone to yellowing and deterioration due to its free amino groups. , and has a pungent fishy smell, making it difficult to store for a long time. L-lysine hydrochloride is relatively stable, not easy to deliquesce, and easy to store. However, the demand for L-lysine in some uses is also increasing, such as peptide synthesis chemistry, biochemical research, and preparation of lysine derivatives. Free L-lysine can be prepared from L-lysine hydrochloride.

2. Tobacco: BU, 22; FC, 21; can be obtained by hydrolysis and refining of animal protein. It can also be synthesized from benzoyl piperidine.

Purpose

For biochemical research. Medium preparation.

Eugenol

Published by BDMAEE on 2024-05-27 | Permalink

eugenol structural formula

Structural formula

Business number	02CA
Molecular formula	C10H12O2
Molecular weight	164.2
label	eugenol, 4-allyl-2-methoxyphenol, 1-Hydroxy-2-methoxy-4-allylbenzene, 4-allylguaiacol, 4-Allyl-2-methoxyphenol, artificial flavors

Numbering system

CAS number:97-53-0

MDL number:MFCD00008654

EINECS number:202-589-1

RTECS number:SJ4375000

BRN number:1366759

PubChem number:24862128

Physical property data

1. Properties: Colorless or light yellow liquid, the color deepens when exposed to the air or under strong light. There is a strong clove aroma.

2. Melting point (ºC): -9.2~-9.1

3. Boiling point (ºC): 253.2

4. Relative density (20℃, 4 ℃): 1.0672

5. Relative density (25℃, 4℃): 1.0652²⁰

6. Refractive index at room temperature (n²⁰): 1.5405

7. Refractive index at room temperature (n²⁵): 1.5345³⁰

8. Dissolution Properties: Slightly soluble in water, soluble in ethanol, acetone, ethyl acetate, ether, chloroform and other organic solvents.

9.Flash point (℃): >110

Toxicological data

Toxicity classification Poisoning

Acute toxicity: Oral – Rat LD50: 1930 mg/kg; Oral – Mouse LC50: 3000 mg/kg.

Irritation Data: Skin – Rabbit 100 mg/24 hours Severe.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 48.72

2. Molar volume (cm³/mol): 156.2

3. Isotonic specific volume (90.2K ): 384.3

4. Surface tension (dyne/cm): 36.5

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 19.31

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 145

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxides.

2. Colorless to light yellow liquid. Rich caramel sweet aroma. The color turns brown and black after being stored for a long time and exposed to air.

3. Exist in oriental tobacco leaves and smoke.

4. Found in clove oil, cinnamon leaf oil, cinnamon bark oil, camphor oil, nutmeg oil, etc.

Storage method

Brown glass bottle with light-sealed packaging. Store in a cool and dark place.

Synthesis method

1. Eugenol mainly exists in clove basil oil and camphor cinnamon leaf oil. It is a component of various aromatic oils, especially clove oil, cinnamon leaf oil, basil oil, and laurel oil. Although eugenol can also be prepared by synthetic methods, it is generally isolated and extracted from plants or aromatic oils in industry.

Take the clove basil and remove the fine roots and Foreign matter, dried and chopped, steam distilled. When distilling, maintain a strong fire and return the distillate to the pot to increase the oil yield. When the final steamed oil-water mixture is around 45°C, the relative density of the essential oil is close to water, and the distillate is white and turbid; when the temperature is between 30 and 40°C, part of the oil floats on the water (the relative density of ocimene is about 0.9) , the other part of the oil sinks underwater (the relative density of eugenol is greater than that of water).

Add 20% sodium hydroxide to the oil-water mixture, and then perform steam distillation to remove all non-acidic substances to obtain a eugenol sodium salt solution. Then add 30% sulfuric acid to neutralize it to pH=2~3 (water layer) with stirring at 50°C, let it stand and separate into layers, take off the crude eugenol oil in the lower layer and conduct distillation under reduced pressure to obtain eugenol.

It is produced by the reaction of o-methoxyphenol and allyl bromide, followed by heating and rearrangement.

2.Isolation method: Add excess sodium hydroxide aqueous solution to the natural essential oil containing eugenol, stir thoroughly, and This generates sodium eugenol that is soluble in water. After the oil layer is separated, the alkaline aqueous solution containing sodium eugenol is acidified with dilute sulfuric acid, and the eugenol is re-precipitated. Separate the eugenol oil layer, wash and dry it, and then distill it under reduced pressure to obtain refined eugenol.

3.The synthesis method uses o-methoxyphenol and allyl chloride as raw materials, in the presence of metallic copper, Heating to about 100℃, eugenol can be generated in one step. Since the boiling points of the three isomers are very close, the separation and purification work is very complicated. Therefore, the isolation method to generate eugenol is still the main method at present.

4. Tobacco: OR, 26; can be separated from clove oil. When the synthetic method uses guaiacol as raw material to prepare eugenol, there are many side reactions, and it is difficult to separate and purify.

Purpose

1. In addition to being used in medicine, it can also be used as a raw material for synthetic fragrances. It can also be used to prepare carnation-flavored daily flavors and can also be used as edible spices.

2.Mainly used for preparing mint, nuts, spicy foods and tobacco flavors. The dosage used in meat is 40~2000mg/kg; in gum, 500mg /kg; in condiments, 9.6~100mg/kg; in baked goods, 33mg/kg; 32 in candiesmg/kg; 3.1 in cold drinks mg/kg; 1.4mg/kg in soft drinks; 0.6 in puddings. In addition, eugenol has antiseptic and strong bactericidal properties and is found naturally in many essential oils.

3.Eugenol is the main fragrance agent for preparing clove, carnation, carnation and other flavors. It is used for preparing woody and oriental flavors. Fixatives and modifiers for fragrances. It is also often used in mint, nuts, spicy food flavors and tobacco flavors, and is also an important raw material for the synthesis of vanillin. It is also used in medicine and oral hygiene products. Eugenol is a commonly used analgesic drug in dentistry. It mainly anesthetizes dental nerves, slows down stimulation and plays an analgesic effect.

4. It is used in the blending of cosmetics, soaps, food and other flavors. Used in the ink industry as an anti-drying agent.

5. Also used as insecticide and preservative.

rodentin

Published by BDMAEE on 2024-05-27 | Permalink

Raticide Structural Formula

Structural formula

Business number	01TJ
Molecular formula	C14H14O3
Molecular weight	230.26
label	2-Pivaloyl-1,3-indandione, The rat is over, rodentin, pintone, 2-(2,2-Dimethyl-1-oxopropyl)-1H-indene-1,3-(2H)dione, Pival, Pivalyl, Pivacin, ,Pivaldion, Pivalyn, 2-(2,2-Dimethyl-1-oxopropyl)-1H-indene-1,3-(2H)dione, Rodenticide

Numbering system

CAS number:83-26-1

MDL number:MFCD00021230

EINECS number:201-462-8

RTECS number:NK6300000

BRN number:2051258

PubChem number:24899309

Physical property data

1. Character: bright yellow crystal

2. Density (g/mL, 25/4℃): Uncertain

3. &nb

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 61.75

2. Molar volume (cm³/mol): 192.3

3. Isotonic specific volume (90.2K ): 502.6

4. Surface tension (dyne/cm): 46.6

5. Polarizability (10^-24cm³): 24.48

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 51.2

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 351

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

Methyl sulfide

Published by BDMAEE on 2024-05-27 | Permalink

Methyl sulfide structural formula

Structural formula

Business number	01J5
Molecular formula	C2H6S
Molecular weight	62.13
label	dimethyl sulfide, dimethyl sulfide, DMS, Dimethyl sulfide, 2-Thiapropane, Methyl sulphide, City gas smell tester, industrial purifier, paint release agent, Battery low temperature preservative, pesticide penetrant

Numbering system

CAS number:75-18-3

MDL number:MFCD00008562

EINECS number:200-846-2

RTECS number:PV5075000

BRN number:1696847

PubChem number:24856582

Physical property data

1. Properties: colorless liquid with unpleasant odor. ^[1]

2. Melting point (℃): -98.3^[2]

3. Boiling point (℃): 37.3^[3]

4. Relative density (water = 1): 0.85^[4]

5. Relative vapor Density (air=1): 2.14^[5]

6. Saturated vapor pressure (kPa): 53.2 (20℃)^[6]

7. Heat of combustion (kJ/mol): -1907.7^[7]

8. Critical temperature (℃): 229^[8]

9. Critical pressure (MPa): 5.69^[9]

10. Octanol/water partition coefficient: 0.92^[10]

11. Flash point (℃): <-17.7^[11]

12. Ignition temperature (℃) ：206^[12]

13. Explosion upper limit (%): 19.7^[13]

14. Explosion lower limit (%) %): 2.2^[14]

15. Solubility: Insoluble in water, soluble in most organic solvents such as ethanol and ether. ^[15]

16. Viscosity (mPa·s, 20ºC): 0.289

17. Viscosity (mPa·s, 25ºC): 0.279

18. Ignition point (ºC): 206.1

19. Heat of evaporation (KJ/mol, 25ºC): 27.61

20. Heat of evaporation (KJ/mol, b.p. ): 27.0174

21. Heat of fusion (KJ/mol): 7.990

22. Heat of formation (KJ/mol, 25ºC): -65.48

23 .Specific heat capacity (KJ/(kg·K), 25ºC, constant pressure): 1.17

24. Boiling point rising constant: 1.85

Toxicological data

1. Acute toxicity:

Rat caliber LD50: 3300mg/kg; rat inhalation LCLO: 40250ppm;

Mouse caliber LD50: 3700mg/kg; mouse inhalation LCLO: 31620 ug/m3;

Mouse abdominal cavity LD50: 8mg/kg; Rabbit skin LD50: >5mg/kg;

Mammal LD50: 1950mg/kg;

2. Other multiple dose toxicity data:

Rat caliber TDLO: 21mg/kg/70D-I; Rabbit caliber TDLO: 24500mg/kg/14W-I;

3. Acute toxicity^[16]

LD50: 535mg/kg (rat oral)

LC50: 102235mg /m³(rat inhalation)

4. Irritation^[17]

Rabbit transdermal: 500mg (24h),Mild irritation.

Rabbit eye: 259μg (24h), severe irritation.

Ecological data

1. Ecotoxicity^[18] LC50: 7.5~15ppm (fish)

2. Biodegradability No data yet

3. Non-biodegradability^[19] In the air, when the hydroxyl radical concentration is 5.00×10^{At 5}pcs/cm³, the degradation half-life is 3.5d (theoretical).

The half-life of photooxidation is 8 hours.

Molecular structure data

1. Molar refractive index: 19.31

2. Molar volume (cm³/mol): 75.5

3. Isotonic specific volume (90.2K ): 162.3

4. Surface tension (dyne/cm): 21.3

5. Polarizability (10^-24cm³): 7.65

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 25.3

7. Number of heavy atoms: 3

8. Surface charge: 0

9. Complexity: 2.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Chemical properties: It can form addition compounds with halogens, metal halides, etc. Or react with alkyl halides to form sulfonium compounds. When oxidized, sulfoxide is generated, and continued oxidation generates sulfone. It is easy to burn and explode when exposed to open flames or high heat. Thermal decomposition produces toxic sulfide fumes.

2. This product is poisonous. Low-concentration dimethyl sulfide vapor generally causes nausea and loss of appetite, while high-concentration vapor has a paralyzing effect on the central nervous system. During the production process, it must be sealed to prevent running, popping, dripping and leaking. Ventilation should be strengthened at the production site, and operators should wear protective equipment. In the event of poisoning, you should move to a place with fresh air and seek medical treatment.

3. Stability^[20] Stable

4. Incompatible substances^[21] Strong oxidants, alkalis, ammonia

5. Conditions to avoid contact ^[22] Heat

6. Polymerization hazard^[23] No polymerization

7. Decomposition products^[24] Sulfide

Storage method

Storage Precautions^[25]Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 29°C. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, alkalis, and ammonia, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Refining method: Use the complex formed between mercuric chloride and methyl sulfide for refining: add 1 mol of mercuric chloride to 1250 mL of ethanol, and then add 0.67 mol of methyl sulfide alcohol solution to this solution. The resulting solid is recrystallized to obtain complex crystals with a certain melting point and a structure of 2(CH3)2S·HgCl2. Dissolve 250 mL of concentrated hydrochloric acid in 780 mL of water, add 500 g of the refined complex, and heat to separate the methyl sulfide. After washing with water and drying with calcium chloride, the purity can reach 99.995% (mol).

Purpose

1. This product is a solvent and an intermediate for the production of dimethyl sulfoxide, methionine and pesticides. It can be used as a solvent for organic compounds, resins, inorganic compounds, polymerization reactions and cyanide reactions. Used as analytical reagent, polyacrylonitrile and other synthetic fiber spinning and hydraulic oil. It can also be used as an odorant for city gas, an industrial purifier, a paint release agent, a low-temperature preservative for batteries, a pesticide penetrant, etc. Used topically in hematological medicines, phytopathology and nutrition.

2. Used as solvent and catalyst for most inorganic substances. ^[26]

L-glutamic acid

Published by BDMAEE on 2024-05-27 | Permalink

L-glutamic acid structural formula

Structural formula

Business number	0180
Molecular formula	C5H9NO4
Molecular weight	147.13
label	(S)-2-Aminoglutaric acid, glutamine, (S)-2-Aminoglutaric acid, L-Glutamic acid, (S)-(+)-Glutamic acid, Bitter remover, intermediates, Biochemical reagents

Numbering system

CAS number:56-86-0

MDL number:MFCD00002634

EINECS number:200-293-7

RTECS number:LZ9700000

BRN number:1723801

PubChem number:24901609

Physical property data

1. Characteristics: L-glutamic acid is white or colorless scaly crystals, slightly acidic. The racemate, DL-glutamic acid, is a colorless crystal.

2. Density (g/mL, 25/4℃): Racemic: 1.4601; Dextral, left-handed: 1.538.

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 160

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8 . Flash point (ºC): Undetermined

9. Specific rotation (º): [α]D22.4+31.4° (C=1.6mol/L hydrochloric acid)

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC ): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: racemateSlightly soluble in cold water, easily soluble in hot water, almost insoluble in ether, ethanol and acetone. The racemate is slightly soluble in ethanol, ether and petroleum ether.

Toxicological data

1. Acute toxicity: human oral TDLo: 71mg/kg; human intravenous TDLo: 117mg/kg; rat oral LD50: 36mg/kg; rabbit oral LD50: >2300mg/kg 2. Mutagenicity: sister chromatids exchangeTEST system:�Lymphocytes: 10mg/L

Ecological data

General remarks

Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 31.83

2. Molar volume (cm³/mol): 104.3

3. Isotonic specific volume (90.2K ): 301.0

4. Surface tension (dyne/cm): 69.2

5. Polarizability (10^-24cm³): 12.62

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 145

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is non-toxic.

2.Odorless, with a slightly special and sour taste.

3. Exist in tobacco leaves and smoke.
　

Storage method

1. This product should be sealed and stored in a cool, dark place.

2. Packed in plastic bags, nylon bags or plastic woven bags, net weight 25kg. During storage and transportation, attention should be paid to moisture-proof, sun-proof and low-temperature storage.

Synthesis method

1. Glutamic acid can be produced by protein hydrolysis and synthesis, but fermentation is currently the main method for producing glutamic acid. The carbon source for fermentation to produce glutamic acid is hydrolyzed sugar or molasses from potato, corn, tapioca starch, coconut tree starch and other starches. It can also be acetic acid, liquid paraffin (C16 paraffin is best) and other petrochemical products. The carbon source is Nutrients that constitute the carbon framework and energy in microbial cells and metabolites. Nitrogen sources are ammonium salts, urea, etc. Nitrogen is the main element that constitutes bacterial cell proteins and nucleic acids. Nitrogen is also the main element that constitutes the glutamic acid amino group of fermentation products. Other auxiliary raw materials are inorganic salts, vitamins, etc. For example, microorganisms require appropriate phosphorus concentration, magnesium is an inorganic activator that stimulates bacterial growth, potassium salt promotes acid production, and corn steep liquor provides biotin and organic nitrogen sources. Various accelerators and additives are also included. The producing bacteria are Brevibacterium, Corynebacterium pekinensis, etc. In a large fermentation tank, ferment with aeration and stirring at a temperature of 30-34°C and a pH>7-8. After 30-40 hours of fermentation, remove bacteria and extract glutamic acid from the fermentation liquid. After refining, the finished product is obtained. In the above process Extraction using isoelectric point method, ion exchange method, hydrochloride method, direct concentration method (when acetic acid is used as raw material), etc. can also be used. The product produced by fermentation method is L-glutamic acid, with a content of more than 98%. Each ton of glutamic acid consumes 4000kg of starch (80%) and 25kg of bacteria. The advantage of the synthesis method is that it does not consume food, but the production process requires high pressure (about 20MPa), high temperature (above 120°C), and uses toxic raw materials. The equipment investment is twice as high as that of the fermentation method, and the racemic glutamic acid obtained needs to be further processed. Split, the production process is complex. Calculated based on the production of 1 ton of 99% sodium glutamate (MSG), the synthesis method consumes 640kg of acrylonitrile. When the annual output is more than 5,000t, the production cost is close to that of the acidification method.
2.Fermentation method

3. Chemical synthesis

4.This product is mainly made from fermentation Produced by law. Molasses or starch is used as the raw material, Corynebacterium glutamicum or Pediococcus or Arthrobacter is used as the strain, and urea is used as the nitrogen source. Fermentation is carried out at 30 to 32°C. After the fermentation is completed, the bacteria are separated from the fermentation liquid. Use hydrochloric acid to adjust the pH value to 3.0, perform isoelectric point extraction, and obtain glutamic acid crystals after separation. The glutamic acid in the mother liquor is extracted with 732 ion exchange resin, crystallized, and dried to obtain the finished product.

5. Tobacco: BU, 22; FC, 21; L-isomer can be obtained from animal and plant proteins through hydrolysis, decolorization, concentration, and crystallization. It can also be produced from sugar or starch by fermentation. The racemate can be synthesized from acrylonitrile.

Purpose

1.L-Glutamic acid is mainly used in the production of MSG and spices, as well as as salt substitutes, nutritional supplements and biochemical reagents. L-glutamic acid itself can be used as a drug, participating in the metabolism of protein and sugar in the brain and promoting the oxidation process. It combines with ammonia in the body to form non-toxic glutyl glutamic acid.Amine can reduce blood ammonia and relieve symptoms of hepatic coma. It is mainly used to treat hepatic coma and severe liver insufficiency, but the efficacy is not very satisfactory; combined with anti-epileptic drugs, it can still treat petit mal epilepsy and psychomotor seizures. Racemic glutamate is used in the production of drugs and as biochemical reagents.

2.Usually not used alone, but in conjunction with phenolic and quinone antioxidants to obtain good synergistic effects.

3.Glutamic acid is used as a complexing agent for electroless plating.

N-phenylsuccinimide

Published by BDMAEE on 2024-05-27 | Permalink

N-phenylsuccinimide structural formula

Structural formula

Business number	01TH
Molecular formula	C10H9NO2
Molecular weight	175.18
label	N-Phthalosuccinimide, 1-Phenylsuccinimide

Numbering system

CAS number:83-25-0

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Character: Uncertain

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC):1551

5. Boiling point (ºC,Normal pressure): Uncertain

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): Unsure

12. Saturated vapor pressure (kPa, 60ºC): Unsure

13. Heat of combustion (KJ/mol): Unsure

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of the partition coefficient (water): Uncertain

17. Explosion limit (%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility: Uncertain.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 46.71

2. Molar volume (m³/mol）：136.9

3. isotonic ratio (90.2K):371.0

4. Surface Tension (dyne/cm):53.8

5. Polarizability（10^-24cm³):18.52

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 37.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 215

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

L-Glutamine

Published by BDMAEE on 2024-05-27 | Permalink

L-glutamine structural formula

Structural formula

Business number	017Z
Molecular formula	C5H10N2O3
Molecular weight	146.15
label	L-Glutamic acid-5-amide, L-aminocarbonylbutyrine, L-2-Aminoglutaric acid amide, (S)-(+)-Glutamine, L-Glutamic acid 5-amide, amino acid drugs, intermediates, Biochemical reagents

Numbering system

CAS number:56-85-9

MDL number:MFCD00008044

EINECS number:200-292-1

RTECS number:MA2275100

BRN number:1723797

PubChem number:24277983

Physical property data

1. Properties: colorless needle-like crystals

2. Density (g/mL, 25/4℃): 1.321

3. Relative vapor density (g/mL , air=1): Undetermined

4. Melting point (ºC, decomposition): 185～186

5. Boiling point (ºC, normal pressure): 185

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): 32.25° (c=10, 2 N HCl).

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% , V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in water, almost insoluble in methanol, Ethanol, ether, benzene, acetone, ethyl acetate and chloroform, etc.

Toxicological data

1. Acute toxicity: Men’s oral TDLo: 27mg/kg/1W-I; Rat’s oral LD50: 7500mg/kg; Mice’s oral LD50: 21700mg/kg 2. Other multi-dose toxicity: Rat’s oral TDLo: 260mg/kg/30D-I 3. Mutagenicity: sister chromatids exchangeTEST system: human lymphocytes: 10mg/L

Ecological data

None

Molecular structure data

1. Molar refractive index:33.83

2. Molar volume (cm³/mol): 110.5

3. Isotonic specific volume (90.2K): 313.3

4. Surface tension (dyne/cm): 64.5

5. Polarizability (10^-24cm³): 13.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -3.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 106

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 146

10. Isotopes Number of atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Participate in the biosynthesis of glucosamine, a component of mucin in the digestive tract mucosa, thereby promoting the repair of mucosal epithelial tissue and helping to eliminate ulcer lesions. At the same time, it can promote brain metabolism and improve brain function through the blood-brain barrier. Like glutamate, it is an important nutrient for brain metabolism.

2. Exist in tobacco leaves and smoke.

3. Valuable in the field of immunity. After the body converts toxic ammonia into non-toxic glutamine, it is excreted through urine. Generally not involved in the composition of proteins.

Storage method

This product should be stored in a sealed, cool place and away from light.

Synthesis method

L-Glutamine widely exists in nature. For example, it is contained in free state in pumpkin and sunflower seedlings, and its N-ethyl compound (theanine) is contained in tea leaves. Although glutamine can be extracted from natural products, fermentation and synthesis are used for mass production. 1. Synthesis method: It is obtained by condensation, addition, salt formation and hydrolysis of L-glutamic acid-5-methyl ester ([1499-55-4]). Glutamic acid is esterified with methanol in the presence of concentrated sulfuric acid, and the resulting esterified liquid is added dropwise to the mixture of methanol and carbon disulfide. While adding dropwise, ammonia is circulated under cooling. After the esterification liquid is added dropwise, continue to pass ammonia, then add triethylamine, and leave it sealed at 30°C for 40 hours. After concentrating under reduced pressure to drive out ammonia, a concentrated solution of γ-methyl ester-L-glutamic acid-N-amino acid diammonium salt was obtained. Heat it to 40-45°C and add acetic acid. After stirring for 30 minutes, carbon disulfide was removed under reduced pressure, and a large amount of crystals precipitated. Then add an equal volume of methanol, place it at 0°C for 12 hours, and filter to obtain crude glutamine. The finished product is obtained through activated carbon decolorization and recrystallization. 2. Fermentation method uses glucose, acetic acid, and ethanol as the carbon source of the culture medium, and uses Brevibacterium flavum for fermentation. The yield based on glucose is 39g/L, and the yield is 39%.

2.Synthesis

3.Fermentation method

4. Extracted from the cell wall of fungi.

Purpose

1. This product is converted into sugar amine in the body, which serves as a precursor for mucin synthesis and can promote ulcer healing. It is mainly used as a peptic tract ulcer drug. In addition, it can also be used as a brain function improver and in the treatment of alcoholism.

2.It is used to improve the brain function of children with mental retardation and patients with mental disorders, alcoholism and epilepsy.

3. Nutritional supplements. In medicine, it is used to treat digestive organ ulcers (gastric ulcers, duodenal ulcers) and acute and chronic gastritis. It is also used as a brain function improver and to treat alcoholism.

Formaldehyde oxime

Published by BDMAEE on 2024-05-27 | Permalink

Formaldehyde oxime structural formula

Structural formula

Business number	01J4
Molecular formula	CH3NO
Molecular weight	45.04
label	Formyl oxime aqueous solution, Formaldehydeoxime, Formaldoximesolution, Methyleneamine N-oxide, N-Hydroxymethyleneimine

Numbering system

CAS number:75-17-2

MDL number:MFCD00058969

EINECS number:200-845-7

RTECS number:LP9720000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: pure product with extremely strong refractive index Colorless liquid.

2. Density (g/mL,25/4℃)：1． 035

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): Unsure

5. Boiling point (ºC,Normal pressure): Uncertain

6. Boiling point (ºC,5.2kPa): Unsure

7. fold�Rate: Uncertain

8. Flash Point (ºC): 25

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): Unsure

12. Saturated vapor pressure (kPa,60ºC): Unsure

13. Heat of combustion (KJ/mol): Unsure

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of the partition coefficient (water): Uncertain

17. Explosion limit (%,V/V): Not sure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility: soluble in water and acid. Can become a water-insoluble polymer at room temperature.

Toxicological data

1, teratogenicity

E. coli: 10umol/plate

Ecological data

None

Molecular structure data

1. Molar refractive index:10.86

2. Molar volume (m³/mol）：48.4

3. isotonic specific volume (90.2K):110.8

4. Surface Tension (dyne/cm):27.4

5. Polarizability（10^-24cm³): 4.30

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 32.6

7. Number of heavy atoms: 3

8. Surface charge: 0

9. Complexity: 12.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed. Not suitable for long-term storage.

Synthesis method

None

Purpose

Used for determination of manganese, copper, nickel, cobalt and iron, etc.