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Substance Name: Isopropyl stearate
RN: 112-10-7
UNII: 43253ZW1MZ
InChIKey: ZPWFUIUNWDIYCJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C21-H42-O2

Molecular Weight

  • 326.561
 
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Names and Synonyms

Name of Substance

  • 1-Methylethyl octadecanoate
  • Isopropyl stearate
  • Octadecanoic acid, 1-methylethyl ester

Synonyms

  • 1-Methylethyl octadecanoate
  • 4-02-00-01219 (Beilstein Handbook Reference)
  • BRN 1791443
  • EINECS 203-934-9
  • Isopropyl stearate
  • UNII-43253ZW1MZ
  • Wickenol 127

Systematic Names

  • Isopropyl stearate
  • Octadecanoic acid, 1-methylethyl ester
  • Stearic acid, isopropyl ester

Superlist Name

  • Isopropyl stearate

Registry Numbers

CAS Registry Number

  • 112-10-7

FDA UNII

  • 43253ZW1MZ

System Generated Number

  • 0000112107

Structure Descriptors

InChI

1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3

InChIKey

ZPWFUIUNWDIYCJ-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCC)CCC(OC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 8gm/kg (8000mg/kg)   Journal of the American College of Toxicology. Vol. 4(5), Pg. 107, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28 deg C   EXP
log P (octanol-water) 9.140 (none)   EST
Water Solubility 1.34E-04 mg/L 25 EST
Henry's Law Constant 0.029 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.49E-11 cm3/molecule-sec 25 EST

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