Benzyl phenylacetate Benzyl phenylacetate
Structural formula
| Business number | 02LR |
|---|---|
| Molecular formula | C15H14O2 |
| Molecular weight | 226.27 |
| label |
Benzyl phenylacetate, Phenylacetic Acid Benzyl Ester, C6H5CH2CO2CH2C6H5 |
Numbering system
CAS number:102-16-9
MDL number:MFCD00022045
EINECS number:203-008-4
RTECS number:None
BRN number:None
PubChem number:24900885
Physical property data
1. Properties: colorless liquid with sweet jasmine aroma, like honey.
2. Density (g/mL, 25℃): 1.097
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 317-319
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index: 1.555
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated vapor pressure ( kPa, ºC): 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: Miscible in ethanol, chloroform and ether.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 66.69
2. Molar volume (cm3/mol): 202.9
3. Isotonic specific volume (90.2K ): 520.5
4. Surface tension (dyne/cm): 43.2
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 26.44
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 5
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 26.3
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 225
10. IsotopesNumber of atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined 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
None yet
Storage method
None yet
Synthesis method
It is made by esterification of benzyl alcohol and phenylacetic acid.
Purpose
Mainly used for edible spices.
