2-Methyl-1-phenyl-2-propanol 2-Methyl-1-phenyl-2-propanol
Structural formula
| Business number | 02JV |
|---|---|
| Molecular formula | C10H14O |
| Molecular weight | 150.22 |
| label |
Dimethylbenzylmethanol, α-Benzylisopropanol; α,α-dimethylphenylethyl alcohol, Dimethyl benzyl alcohol, α-benzyl-isopropyl alcohol, α, α-dimethyl ethanol, artificial flavors |
Numbering system
CAS number:100-86-7
MDL number:MFCD00004465
EINECS number:202-896-0
RTECS number:SG8050000
BRN number:1855608
PubChem number:24850290
Physical property data
1. Properties: Low melting point white crystal, which can become colorless to light yellow liquid under supercooling. Has a floral aroma and sweet vanilla flavor.
2. Density (g/mL, 25℃): 0.974
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 23-25
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 10mmHg): 94-96
7. Refractive index: 1.514
8. Flash point (ºC): 92
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa , 20ºC): 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: Soluble in most non-volatile oils, mineral oil and propylene glycol , insoluble in glycerin and water.
Toxicological data
Acute toxicity: Rat oral LD50: 1280mg/kg; Rabbit skin contact LD50: >5mg/kg; Guinea pig oral LD50: 988mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 46.56
2. Molar volume (cm3/mol): 152.8
3. Isotonic specific volume (90.2K ): 375.2
4. Surface tension (dyne/cm): 36.3
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 18.46
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: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 112
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
Low melting point white crystal, which can become colorless to light yellow liquid under supercooling. Has a floral aroma and sweet vanilla flavor. Soluble in most non-volatile oils, mineral oil and propylene glycol, insoluble in glycerin and water.
Storage method
Store in a cool and dark place.
Synthesis method
It is obtained by the addition reaction of acetone and benzyl magnesium chloride or benzyl magnesium bromide, followed by hydrolysis and distillation under reduced pressure.
Purpose
Prepare floral fragrances, such as lily, narcissus, jasmine, lily of the valley and other high-end floral fragrances. Its acetate has a refreshing aroma, making it particularly valuable. It is commonly used in floral fragrances such as hyacinth, lily, and jasmine.
