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Substance Name: Ethyl octadecanoate
RN: 111-61-5
UNII: C64RTC734W
InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C20-H40-O2

Molecular Weight

  • 312.534
 
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Names and Synonyms

Name of Substance

  • Ethyl octadecanoate
  • Ethyl stearate
  • Octadecanoic acid, ethyl ester

Synonyms

  • 4-02-00-01218 (Beilstein Handbook Reference)
  • AI3-01781
  • BRN 1788183
  • Dicyclohexylammonium sulfate
  • EINECS 203-887-4
  • Ethyl n-octadecanoate
  • Ethyl octadecanoate
  • Ethyl stearate
  • FEMA No. 3490
  • NSC 8919
  • Stearic acid ethyl ester
  • UNII-C64RTC734W

Systematic Names

  • Ethyl stearate
  • Octadecanoic acid, ethyl ester
  • Stearic acid, ethyl ester

Superlist Name

  • Ethyl stearate

Registry Numbers

CAS Registry Number

  • 111-61-5

FDA UNII

  • C64RTC734W

System Generated Number

  • 0000111615

Structure Descriptors

InChI

1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

InChIKey

MVLVMROFTAUDAG-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCCC)CC(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 781, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 781, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33 deg C   EXP
log P (octanol-water) 8.720 (none)   EST
Water Solubility 3.69E-04 mg/L 25 EST
Henry's Law Constant 0.022 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.31E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.