Acetyl castor oil methyl ester
Structural formula
| Business number | 03SM |
|---|---|
| Molecular formula | C21H38O4 |
| Molecular weight | 354.52 |
| label |
Acetyl Ricinoleate Methyl Ester, 2-Acetoxy-9-octadecenoic acid methyl ester, Acetyl Ricinoleate Methyl Ester, O-acetyl ricinoleic acid methyl ester, methyl acetyl ricinoleate, plasticizer, food additives |
Numbering system
CAS number:140-03-4
MDL number:MFCD00026204
EINECS number:205-392-9
RTECS number:VJ3410000
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Colorless to light yellow transparent viscous liquid.
2. Density (g/mL, 20℃): 0.94
3. Flash point (℃): 196
4. Melting point (℃): -26
5. Boiling point (ºC): 190~220℃ (666.6Pa)
6. Freezing point (ºC): -40
7. Dissolution Properties: soluble in organic solvents
Toxicological data
Skin/eye irritation data
Rabbit skin contact: Mild reaction at 500mg/24H
Rabbit eye contact: Mild reaction at 500mg
Acute toxicity data :
Mouse oral LD50: 34900mg/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 38.97
2. Molar volume (cm3/mol): 102.90
3. Isotonic specific volume (90.2K ): 376.1
4. Surface tension (dyne/cm): 33.0
5. Polarizability (10-24cm3): 40.79
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 6.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 18
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 52.6
7. Number of heavy atoms: 25
8. Surface charge: 0
9. Complexity: 363
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters Number: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
should be savedStore in a ventilated and dry place indoors, away from fire sources. Store and transport according to general chemical regulations.
Synthesis method
Add the castor oil mixed fatty acids and acetone into the reaction kettle, stir to dissolve and cool to -29~-15°C, filter to remove the saturated acid, and then repeatedly recrystallize at -70°C to obtain ricinoleic acid. This product is obtained by esterification of ricinoleic acid and methanol, and then acetylation with acetic anhydride.
Purpose
Plasticizer and rubber softener used in plastic films for food packaging. It is also used as a food additive and chewing gum base.
