1 – Page 9 – BDMAEE

1,2-dibromoethylene

Published by BDMAEE on 2024-03-04 | Permalink

Structural formula

Business number	05K8
Molecular formula	C2H2Br2
Molecular weight	185.85
label	Ethylene dibromide, 1,2-dibromoethylene, 1,2-ethyne dibromide, Acetylene dibromide, Acetylene dibromide, 1,2-Dibromethen

Numbering system

CAS number:540-49-8

MDL number:MFCD00000184

EINECS number:208-747-6

RTECS number:KV7700000

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4℃):2.27

3. relative steam Density (g/cm³,air=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):107-110

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive index:1.542

8. Flash point (ºF): Undetermined

9. Specific optical rotation (º): Undetermined

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

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

12. Saturated vapor pressure (kPa,55.1ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility:Undetermined

Toxicological data

Mutagenicity data: Microbial organismTESTSystematic mutation: Bacteria–Typhimurium Salmonella: 100ug/plate;

Ecological data

This substance may be harmful to the environment and water bodiesSpecial attention should be paid.

Molecular structure data

1. Molar refractive index: 26.83

2. Molar volume (m³/mol）：81.5

3. isotonic specific volume (90.2K):203.2

4. Surface Tension (dyne/cm):38.5

5. Polarizability（10^-24cm³):10.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.9

2. Hydrogen Bonding Number of donors: 0

3. Hydrogen Bonding Number of receptors: 0

4. Rotatable Number of chemical bonds: 0

5. Interchange Number of isomers:

6. Topological molecules Polar surface area (TPSA）：0

7. Number of heavy atoms:4

8. Surface charge ：0

9. Complexity ：19.2

10. Isotope atomic number:0

11. Determine the number of atomic stereocenters:0

12. Uncertain number of atomic stereocenters:0

13. Determine the number of stereocenters of chemical bonds:1

14, Uncertain number of stereocenters of chemical bonds:0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

None

1,1,2,2-Tetrafluoroethyl ethyl ether

Published by BDMAEE on 2024-03-04 | Permalink

Structural formula

Business number	05AG
Molecular formula	C4H6F4O
Molecular weight	146.09
label	1,1,2,2-Tetrafluoroethyl ethyl ether

Numbering system

CAS number:512-51-6

MDL number:MFCD00069162

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4℃): 1.198

3. Relative vapor density ( g/cm³ ,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):57

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive index:1.294

8. Flash Point (ºF): Undetermined

9. Specific optical rotation (º):56-58

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 and water (octanol/Log value of water) partition coefficient: undetermined

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

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

19. Solubility:Undetermined

Toxicological data

None

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:22.90

2、 Molar volume（m³/mol)：123.1

3、 Isotonic specific volume (90.2K):241.4

4、 Surface tension（dyne/cm）：14.7

5、 Polarizability(10^-24cm³）：9.08

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 82.6

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

None

1,4-Difluorobenzene

Published by BDMAEE on 2024-03-01 | Permalink

Structural formula

Business number	05K4
Molecular formula	C6H4F2
Molecular weight	114.09
label	p-difluorobenzene, p-Difluorobenzene

Numbering system

CAS number:540-36-3

MDL number:MFCD00000344

EINECS number:208-742-9

RTECS number:CZ5658000

BRN number:1904541

PubChem ID:None

Physical property data

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

2. Melting point (℃): -13^[2]

3. Boiling point (℃): 88.8^[3]

4. Relative density (water = 1): 1.17^[4]

5. Octanol /Water partition coefficient: 2.13^[5]

6. Flash point (℃): -5^[6]

7. Solubility: Insoluble in water, soluble in ethanol, etc. ^[7]

8. Refractive index at room temperature (n²⁰): 1.43422

9. Solubility parameter (J· cm^-3)^0.5: 18.588

10. van der Waals area (cm²·mol^{– 1}): 6.820×10⁹

11. van der Waals volume (cm³·mol^-1): 55.520

12. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -342.42

13. Liquid phase Standard hot melt (J·mol^-1·K^-1): 134.9

14. Critical density (g·cm^-3): 0.381

15. Critical volume (cm³·mol^-1): 299

16 .Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -307.4

17. Gas phase standard entropy (J·mol^-1 ·K^-1): 315.55

18. Gas phase standard free energy of formation (kJ·mol^-1): -252.4

19. Gas phase standard hot melt (J·mol^-1·K^-1): 106.46

Toxicological data

1. Acute toxicity^[8] LC50: 55000mg/m³ (mouse inhalation, 2h )

2. Irritation No information available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 26.24

2. Molar volume (cm³/mol): 97.8

3. Isotonic specific volume (90.2K ): 221.5

4. Surface tension (dyne/cm): 26.2

5. Polarizability (10^-24cm³): 10.40

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: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 54.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine ��Number of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[9] Stable

2. Incompatible substances^[10] Strong oxidizing agent

3. Polymerization hazard^[11] No polymerization

4. Decomposition products ^[12] Hydrogen fluoride

Storage method

Storage Precautions^[13]Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. Keep container tightly sealed. should be kept away from oxidizer, do not store together. 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

Purpose

1. Used as an intermediate in organic synthesis. ^[14]

1,4,9,10-anthracenetetraol

Published by BDMAEE on 2024-02-28 | Permalink

Structural formula

Business number	051B
Molecular formula	C14H10O4
Molecular weight	242.23
label	Quinocyanine leucosome, 1,4-Dihydroxyanthraquinone leucobody, 1,4,9,10-Tetrahydroxy-anthracene, Leucoquinizarin, Anthracene-1,4,9,10-tetraol

Numbering system

CAS number:476-60-8

MDL number:None

EINECS number:207-507-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Undetermined

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Not OK

4. Melting point (ºC): 151

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 optical rotation (º): Undetermined

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 and water (octanol/Log value of water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

MicroorganismTESTSystemic mutation: bacteria–Salmonella typhimurium:100ug/Tablet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:69.46

2、 Molar Volume（m³/mol)：151.3

3、 Isotonic specific volume (90.2K):474.9

4、 Surface tension（dyne/cm)：96.9

5、 Polarizability(10^-24cm³）：27.53

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 15

6. Topological molecule polar surface area 80.9

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 278

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

According to specifications�It will not decompose during use and storage and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None

Purpose

Used as dye intermediate

1,4-Bis(difluoromethyl)benzene

Published by BDMAEE on 2024-02-28 | Permalink

Structural formula

Business number	04HL
Molecular formula	C8H6F4
Molecular weight	178.13
label	1,4-Bis(difluoromethyl)benzene, aromatic fluoride

Numbering system

CAS number:369-54-0

MDL number:MFCD01320708

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.312

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure):83-84
Boiling point (ºC, 5.2kPa): Not available

Refractive index: 1.437-1.439

Flash point (ºC): 63
Specific optical rotation (º): Not possible Use

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 36.74

2. Molar volume (m³/mol）：145.3

3. isotonic specific volume (90.2K):316.2

4. Surface Tension (dyne/cm):22.4

5. Polarizability（10^-24cm³): 14.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 111

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

1,2-Difluoro-4-nitrobenzene

Published by BDMAEE on 2024-02-28 | Permalink

Structural formula

Business number	04HH
Molecular formula	C6H3F2NO2
Molecular weight	159.09
label	3,4-difluoronitrobenzene, 3,4-Difluoronitrobenzene, aromatic fluoride

Numbering system

CAS number:369-34-6

MDL number:MFCD00007198

EINECS number:206-718-2

RTECS number:CZ5710000

BRN number:1944996

PubChem number:24857335

Physical property data

一 , physical property data

Traits ：Light yellow transparent liquid

Density (g/mL,25/4℃): Not available

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): 80-81

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.508-1.510

Flash Point (ºC): 80

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 32.78

2. Molar volume (m³/mol）：109.6

3. isotonic specific volume (90.2K):277.0

4. Surface Tension (dyne/cm):40.6

5, Polarizability（10^-24cm³): 12.99

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: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 45.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 159

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

Pharmaceutical intermediates.

1,2-diiodoethane

Published by BDMAEE on 2024-02-23 | Permalink

Structural formula

Business number	06RB
Molecular formula	C2H4I2
Molecular weight	281.86
label	Ethylene diiodide, 1,2-diiodoethane, Ethylene diiodide, Ethylene diodide, Ethylene iodide, ICH2CH2I

Numbering system

CAS number:624-73-7

MDL number:MFCD00001093

EINECS number:210-859-5

RTECS number:None

BRN number:1730870

PubChem number:24893381

Physical property data

1. Properties: light brown lens powder.

2. Density (g/mL, 25/4℃): 2.13

3. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1

sup>): 1.1

4. Melting point (ºC): 81.5

5. Boiling point (ºC, normal pressure): 200

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

7. Refractive index: 1.871

8. Gas phase standard claims heat (enthalpy) (kJ·mol^-1) : 66.8

9. Gas phase standard entropy (J·mol^-1·K^-1): 348.5

10. Gas phase standard free energy of formation (kJ·mol^-1): 78.7

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: Insoluble in water.

Toxicological data

None yet

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 37.25

2. Molar volume (cm³/mol): 99.2

3. Isotonic specific volume (90.2K ): 259.6

4. Surface tension (dyne/cm): 46.9

5. Polarizability (10^-24cm³): 14.76

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: 0

4. RotatableNumber of �� bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms :4

8. Surface charge: 0

9. Complexity: 6

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

Keep away from oxidizing agents and light.

Storage method

Store in an airtight container and keep refrigerated away from light. Keep away from oxidizing agents and light.

Synthesis method

Derived from the reaction of ethylene and iodine. Pour ethylene into a mixture of iodine and ethanol until the color of iodine completely disappears and needle-like crystals appear. After the reaction is completed, filter and wash, and the obtained crude product is recrystallized with ethanol to obtain 1,2-diiodoethane.

Purpose

Used in organic synthesis.

1,2,4-tribromobenzene

Published by BDMAEE on 2024-02-23 | Permalink

Structural formula

Business number	06GE
Molecular formula	C6H3Br3
Molecular weight	314.8
label	Tribromobenzene

Numbering system

CAS number:615-54-3

MDL number:MFCD00000062

EINECS number:210-433-9

RTECS number:DC1956500

BRN number:1934823

PubChem number:24848070

Physical property data

1. Physical property data

1. Melting point 41-43 ℃.

2. boiling point 274-276 ℃.

3. Flashpoint >110 （230F).

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:49.32

2, Molar volume (m³/mol):137.9

3, Isotonic specific volume (90.2K ):358.7

4, Surface tension (dyne/ cm):45.6

5、 Polarizability (10^-24cm³): 19.55

Compute chemical data

4. Calculated chemical data:

1. Hydrophobic parameter calculation reference value (XlogP ): 4.3

2. Number of hydrogen bond donors:0

3. Number of hydrogen bond acceptors:0

4. Number of rotatable chemical bonds:0

5. Topological molecule polar surface area (TPSA ): 0

6. Number of heavy atoms:9

7. Surface charge: 0

8. Complexity:94.3

9. Isotope atoms Quantity: 0

10. Determine atoms Number of stereocenters:0

11. Not sure Number of atomic stereocenters:0

12. Determine chemical bonds Number of stereocenters:0

13. Not sure Number of stereocenters of chemical bonds:0

14. Covalent Number of key units:1

Properties and stability

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

es New Roman'”> Isotope atomic number:0

10. Determine atoms Number of stereocenters:0

11. Not sure Number of atomic stereocenters:0

12. Determine chemical bonds Number of stereocenters:0

13. Not sure Number of stereocenters of chemical bonds:0

14. Covalent Number of key units:1

Properties and stability

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

amespace prefix = o ns = “urn:schemas-microsoft-com:office:office” />

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

1,5-dibromoanthraquinone

Published by BDMAEE on 2024-02-22 | Permalink

Structural formula

Business number	067J
Molecular formula	C14H6Br2O2
Molecular weight	366
label	None yet

Numbering system

CAS number:602-77-7

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

Physical property data:
1. Melting point (℃):292

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:74.04

2, Molar volume (m³/mol):191.4

3, Isotonic specific volume (90.2K ):536.9

4, Surface tension (dyne/ cm):61.8

5、 Polarizability (10^-24cm³): 29.35

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 346

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

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

hansi-font-family: Arial; mso-bidi-font-family: Arial”>, Polarizability (10^-24cm³):29.35

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 346

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

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

1,4-Anshenol

Published by BDMAEE on 2024-02-22 | Permalink

Structural formula

Business number	050N
Molecular formula	C10H18O
Molecular weight	154.25
label	1,4-Cineole, 1,4 – cineole, artificial flavors

Numbering system

CAS number:470-67-7

MDL number:MFCD00209502

EINECS number:207-428-9

RTECS number:OS9274000

BRN number:104974

PubChem number:24856555

Physical property data

1. Character: colorless liquid

2. Density (g/ m³,25/4℃): 0.887

3. Relative vapor density (g/cm³,Air=1): Undetermined

4. Melting point (ºC):-46

5. Boiling point (ºC,Normal pressure):65

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

7. Refractive index:1.445

8. Flash Point (ºF):118

9. Specific optical rotation (º): Undetermined

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

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

Usually not harmful to water, if Do not release material into the environment without government permission.

Molecular structure data

1, Molar refractive index:45.70

2, Molar volume （m³/mol)：157.8

3, Isotonic specific volume (90.2K):382.3

4, Surface Tension （dyne/cm)：34.4

5、 Polarizability（10^-24cm³)：18.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 164

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

GB/T (14156-93) is listed as allowed food spices.

ion: widow-orphan; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” class=MsoNormal align=left>4, Surface tension（dyne/cm）：34.4

5、 Polarizability（10^-24cm³)：18.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 164

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

GB/T (14156-93) is listed as allowed food spices.

Store in a ventilated, dry place and avoid contact with other oxides.

Synthesis method

None yet

Purpose

GB/T (14156-93) is listed as allowed food spices.