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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.