Benzyl stearic acid
Structural formula
| Business number | 06HL |
|---|---|
| Molecular formula | C10H10O4 |
| Molecular weight | 194.18 |
| label |
Benzylmethylmalonic acid, Benzyl-malonsaeure, acidic solvent |
Numbering system
CAS number:616-75-1
MDL number:MFCD00004261
EINECS number:210-491-5
RTECS number:OO0525000
BRN number:643530
PubChem number:24848075
Physical property data
1. Properties: white prismatic crystals.
2. Density (g/mL, 25/4℃): 1.37
3. Relative vapor density (g/mL, air=1): Undetermined
4 . Melting point (ºC): 117~120
5. Boiling point (ºC, normal pressure): 378.4
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): 196.8
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: easily ethanol, ether, water and hot benzene.
Toxicological data
None
Ecological data
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 48.15
2. Molar volume (cm3/mol): 144.8
3. Isotonic specific volume (90.2K ): 404.4
4. Surface tension (dyne/cm): 60.6
5. Polarizability (10-24cm3)：19.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 74.6
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 204
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters�:0
12. Uncertain number of stereocenters of atoms: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain chemical bonds Number of stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Heat to 180℃ and decompose into carbon dioxide and hydrogenated cinnamic acid. Irritating.
2. Exist in smoke.
Storage method
This product should be kept sealed.
Synthesis method
None
Purpose
Organic synthesis.
