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7,12-Dimethylbenzo[α]anthracene

Published by BDMAEE on 2024-06-11 | Permalink

7,12-dimethylbenzo[α]anthracene structural formula

Structural formula

Business number	0195
Molecular formula	C20H16
Molecular weight	256.34
label	9,10-dimethyl-1.2benzanthracene, Dimethylbenzanthracene, 1,4-Dimethyl-2,3-benzophenanthrene, 9,10-Dimethyl-1,2-benzanthracene, Dimethylbenzanthrene, Aromatic hydrocarbons

Numbering system

CAS number:57-97-6

MDL number:MFCD00003600

EINECS number:200-359-5

RTECS number:CW3850000

BRN number:1912135

PubChem number:24893738

Physical property data

1. Properties: Slightly yellow-green leaf-shaped crystals. It fluoresces blue-violet under ultraviolet light.

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

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

4. Melting point (ºC): 122～123

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): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in benzene, soluble in acetone , slightly soluble in ethanol, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 89.43

2. Molar volume (cm³/mol): 224.3

3. Isotonic specific volume (90.2K): 594.0

4. Surface tension (dyne/cm): 49.1

5. Dielectric constant (F/m): 3.13

6. Polarizability (10^-24cm³): 35.45

Compute chemical data

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

2. Hydrogen bond supplyNumber of ��: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Tautomers Number: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

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. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15 .Number of covalent bond units: 1

Properties and stability

1. Exist in smoke.

2. It is carcinogenic.

Storage method

This product should be kept sealed.

Synthesis method

1. From 9,10-dimethyl-9,10-dihydroxy-9,10-dihydro-1,2-benzanthracene or 9,10-dimethyl-9,10-dimethoxy- Preparation from 9,10-dihydro-1,2-benzanthracene or 9-methyl-1,2-benzanthracene-10-one.

Purpose

For cancer research. Dye manufacturing.

2,4,7,9-Tetramethyl-5-decyne-4,7-diol 2,4,7,9-Tetramethyl-5-decyne-4,7-diol

Published by BDMAEE on 2024-01-29 | Permalink

Structural formula

Business number	03KD
Molecular formula	C14H26O2
Molecular weight	226.36
label	Tetramethyldecynediol, 2,4,7,9-dimethyl-5-decyne-4,7-diol, 4,7-dihydroxy-2,4,7,9-tetramethyl-5-decyne, 2,4,7,9-Tetramethyl-4,7-diol-5-decyne, Surfactant, Dispersant, defoamer, emulsifier, Viscosity reducer

Numbering system

CAS number:126-86-3

MDL number:MFCD00008942

EINECS number:204-809-1

RTECS number:None

BRN number:None

PubChem number:24856810

Physical property data

1. Character:White waxy solid

2. Relative density:0.893

3. Flashpoint (℃）：＞110

4. Melting point (℃):37

5. Boiling point (ºC): 260

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 67.83

2. Molar volume (m³/mol）：238.7

3. isotonic specific volume (90.2K):585.7

4. Surface Tension (dyne/cm):36.1

5. Polarizability（10^-24cm³):26.99

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 256

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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

basic properties

White waxy solid. Soluble in ethylene glycol and other organic solvents, solubility in water is about 0.1%. Relative density 0.893. Melting point 37℃. Boiling point 260℃. Flash point＞110℃. Irritating

Storage method

Storage: Store sealed in a cool and dry place.

Synthesis method

None

Purpose

, purpose

Nonionic surfactant. Dispersant. Defoaming agent. Emulsifier. Viscosity reducer.

Arial”>m³/mol):238.7

3. isotonic specific volume (90.2K):585.7

4. Surface Tension (dyne/cm):36.1

5. Polarizability（10^-24cm³):26.99

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 256

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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

basic properties

White waxy solid. Soluble in ethylene glycol and other organic solvents, solubility in water is about 0.1%. Relative density 0.893. Melting point 37℃. Boiling point 260℃. Flash point＞110℃. Irritating

Storage method

Storage: Store sealed in a cool and dry place.

Synthesis method

None

Purpose

, purpose

Nonionic surfactant. Dispersant. Defoaming agent. Emulsifier. Viscosity reducer.

Exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol

Published by BDMAEE on 2024-01-29 | Permalink

Structural formula

Business number	03JH
Molecular formula	C10H18O
Molecular weight	154.25
label	Bornhenol-2, isoborneol, Isocampic acid-2, Isoborneol, Isobornyl alcohol, isobornyl alcohol, Isocampool, 3-bornillol, DL-Isoborneol, Isoborneol, food additives, Flavor enhancer

Numbering system

CAS number:124-76-5

MDL number:MFCD00074821

EINECS number:204-712-4

RTECS number:NP7300000

BRN number:None

PubChem number:24895930

Physical property data

1. Character: white or slightly yellow crystal

2. Melting point: 212(seal)℃

3. Optical rotation: left-handed [α]_D+34.3°(ethanol); Dextral [α]_D-34.3°(ethanol)

4. Boiling point (ºC): 214

Toxicological data

Skin/eye irritation data

Rabbit skin contact: 500mg/24H moderate reaction

Acute toxicity data

Rat oral LD50: 5200mg/ kg

Mouse vein LD50: 56mg/kg

Rabbit skin LD50: >5mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 45.85

2. Molar volume (cm³/mol): 155.3

3. Isotonic specific volume (90.2K): 381.3

4. Surface tension (dyne/cm): 36.2

5. Polarizability (10^-24cm³): 108.17

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 20.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 185

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Basic properties: Bicyclic monoterpenoids, which are the main isomers of bohenol. sex��Similar to camphor.

Storage method

Storage: Store at room temperature.

Synthesis method

None

Purpose

Usage: Used as a spice in medicine and daily chemical products, and also as a preservative.

7,12-Dimethylbenz[α]anthracene 7,12-Dimethylbenz[α]anthracene

Published by BDMAEE on 2024-01-04 | Permalink

Structural formula

Business number	0195
Molecular formula	C20H16
Molecular weight	256.34
label	9,10-dimethyl-1.2benzanthracene, Dimethylbenzanthracene, 1,4-Dimethyl-2,3-benzophenanthrene, 9,10-Dimethyl-1,2-benzanthracene, Dimethylbenzanthrene, Aromatic hydrocarbons

Numbering system

CAS number:57-97-6

MDL number:MFCD00003600

EINECS number:200-359-5

RTECS number:CW3850000

BRN number:1912135

PubChem number:24893738

Physical property data

1. Properties: Slightly yellow-green leaf-shaped crystals. It fluoresces blue-violet under ultraviolet light.

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

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

4. Melting point (ºC): 122～123

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): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in benzene, soluble in acetone , slightly soluble in ethanol, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 89.43

2. Molar volume (cm³/mol): 224.3

3. Isotonic specific volume (90.2K): 594.0

4. Surface tension (dyne/cm): 49.1

5. Dielectric constant (F/m): 3.13

6. Polarizability (10^-24cm³): 35.45

Compute chemical data

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

2. Hydrogen bond supplyNumber of ��: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Tautomers Number: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

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. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15 .Number of covalent bond units: 1

Properties and stability

1. Exist in smoke.

2. It is carcinogenic.

Storage method

This product should be kept sealed.

Synthesis method

1. From 9,10-dimethyl-9,10-dihydroxy-9,10-dihydro-1,2-benzanthracene or 9,10-dimethyl-9,10-dimethoxy- Preparation from 9,10-dihydro-1,2-benzanthracene or 9-methyl-1,2-benzanthracene-10-one.

Purpose

For cancer research. Dye manufacturing.