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Substance Name: Behenic acid, 1,2,3-propanetriol ester
RN: 18641-57-1
UNII: 8OC9U7TQZ0
InChIKey: DMBUODUULYCPAK-UHFFFAOYSA-N

Molecular Formula

  • C69-H134-O6

Molecular Weight

  • 1059.81
 
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Names and Synonyms

Name of Substance

  • 1,2,3-Propenetriol tridocosanoate
  • Behenic acid, 1,2,3-propanetriol ester
  • Docosanoic acid, 1,2,3-propanetriyl ester
  • Glyceryl behenate
  • Glyceryl tribehenate
  • Tribehenin

Synonyms

  • 2-02-00-00374 (Beilstein Handbook Reference)
  • BRN 1811476
  • Compritol 888
  • EINECS 242-471-7
  • Glyceryl behenate
  • Glyceryl tribehenate
  • Tribehenin
  • Tribehenoyl glycerol
  • Tridocosanoin
  • UNII-8OC9U7TQZ0

Systematic Names

  • Docosanoic acid, 1,2,3-propanetriyl ester
  • Docosanoin, tri- (7CI,8CI)
  • Propane-1,2,3-triyl tridocosanoate

Superlist Name

  • Glyceryl behenate

Registry Numbers

CAS Registry Number

  • 18641-57-1

FDA UNII

  • 8OC9U7TQZ0

System Generated Number

  • 0018641571

Structure Descriptors

InChI

1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3

InChIKey

DMBUODUULYCPAK-UHFFFAOYSA-N

Smiles

C(COC(CCCCCCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4098706,