Benzyl dodecanoate
Structural formula
| Business number | 03SV |
|---|---|
| Molecular formula | C19H30O2 |
| Molecular weight | 290.44 |
| label |
Benzyl laurate, Benzyl laurate, Lauric acid benzyl ester, 12 benzyl, artificial flavors |
Numbering system
CAS number:140-25-0
MDL number:None
EINECS number:205-405-8
RTECS number:JR3425000
BRN number:None
PubChem ID:None
Physical property data
1. Melting point (℃): 9.5
2. Boiling point (12mm, ℃): 211
3. Density (g/cm3 ): 0.94
4, Flash point (℃): 171
Toxicological data
1. Skin/eye irritation data: Rabbit skin contact: 500mg/24H moderate reaction
2. Acute toxicity: oral LD50mg/kg in rats
3. Under closed conditions, The product produced moderate irritation 1 day after being applied to rabbit skin. If a Vaseline preparation with a concentration of 30% was used in a closed skin contact test on humans, no irritation was found after two days. The same concentration has been tested on humans to the maximum extent and no allergic reactions have occurred.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 35.71
2. Molar volume (cm3/mol): 115.6
3. Isotonic specific volume (90.2K ): 292.1
4. Surface tension (dyne/cm): 40.7
5. Polarizability (10-24cm3): 14.15
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 6.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 13
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 244
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
Colorless to slightly yellow liquid. Light oil or light waxy scent.
Storage method
Store in a cool and ventilated place.
Synthesis method
It is obtained by catalytic esterification of lauric acid and benzyl alcohol in the presence of concentrated sulfuric acid.
Purpose
A trace amount of the flower wax is used to synergistically modify the floral wax scent, especially for jasmine scent, which is more harmonious with benzyl alcohol and many benzyl esters. The main fragrance is used to make the floral scent rich and thick.