Ethyl stearate Ethyl Stearate

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:111-61-5

MDL number:MFCD00009006

EINECS number:203-887-4

RTECS number:WI3600000

BRN number:1788183

PubChem number:24899785

Physical property data

1. Properties: White crystalline solid. Odorless or nearly odorless.

2. Density (g/mL, 35℃): 1.057

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 33-35

5. Boiling point (ºC, normal pressure): 213~215 (2kpa)

6. Boiling point (ºC, 0.023kPa) : 152

7. Refractive index _(n⁴⁰_D): 1.4349

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 20ºC): Undetermined

12. Saturated vapor pressure (kPa, 152ºC): 0.023

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/ V): Undetermined

19. Solubility: Insoluble in water, soluble in alcohol and ether.

Toxicological data

1. Acute toxicity: rabbit dermal LD5O: >5gm/kg

Ecological data

This substance is not hazardous to water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 96.48

2. Molar volume (cm³/mol): 362.1

3. Isotonic specific volume (90.2K): 852.5

4. Surface tension (dyne/cm): 30.7

5. Polarizability (10^-24cm³): 38.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 8.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 18

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 226

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

1. It is prohibited to come into contact with strong oxidants, strong acids, and strong alkali.

2. Exist in flue-cured tobacco leaves and oriental tobacco leaves.

3. Naturally found in grape brandy, beer, and cocoa.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Prepared by esterification reaction of stearic acid and absolute ethanol.

2. Tobacco: OR, 26; FC, 18.

Purpose

1. Used as lubricant, water repellent, emulsifier, etc.

2. Commonly used in candies, frozen dairy products, and beverages.