Acetyl castor oil methyl ester

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.