Butyl laurate n-Butyl Laurate
Structural formula
| Business number | 02SS |
|---|---|
| Molecular formula | C16H32O2 |
| Molecular weight | 256.42 |
| label |
Lauric acid butyl ester, Butyl dodecanoate |
Numbering system
CAS number:106-18-3
MDL number:MFCD00042870
EINECS number:203-370-3
RTECS number:None
BRN number:1776360
PubChem number:24874813
Physical property data
1. Properties: Colorless or light yellow oily liquid with peanut-like aroma.
2. Density (g/mL, 25℃): 0.8603
3. Relative density (20℃, 4℃): 0.8603
4. Melting point (ºC): -98
5. Boiling point (ºC, normal pressure): 19430
6. Boiling point (ºC, 2.4kPa): 180
7. Relative density (25℃, 4℃): 0.8555
8. Refractive index at room temperature (n20): 1.4354
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC) : Undetermined
12. Saturated vapor pressure (kPa, 25ºC): 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. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: Insoluble in water, soluble in ethanol, easily soluble in ether.
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 77.94
2. Molar volume (cm3/mol): 296.1
3. Isotonic specific volume (90.2K ): 693.4
4. Surface tension (dyne/cm): 30.0
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 30.90
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 6.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 14
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 26.3
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 178
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13 , The number of determined stereocenters of chemical bonds: 0
14, The number of uncertain stereocenters of chemical bonds: 0
15, The number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Keep away from light. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
Produced by esterification of lauric acid and butanol.
Purpose
Used as spices and organic intermediates.
