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Substance Name: Stearic acid, 9,10-epoxy-, allyl ester
RN: 123-36-4
InChIKey: KHPNSFFGLLOSHH-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C21-H38-O3

Molecular Weight

  • 338.528
 
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Names and Synonyms

Synonyms

  • 4-18-00-03873 (Beilstein Handbook Reference)
  • 9,10-Epoxystearic acid, allyl ester
  • Allyl-9,10-epoxystearate
  • BRN 0022707
  • EP-145
  • NSC 83539
  • Stearic acid, 9,10-epoxy-, allyl ester

Systematic Names

  • Octadecanoic acid, 9,10-epoxy-, allyl ester (8CI)
  • Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester
  • Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester (9CI)
  • Stearic acid, 9,10-epoxy-, allyl ester

Registry Numbers

CAS Registry Number

  • 123-36-4

System Generated Number

  • 0000123364

Structure Descriptors

InChI

1S/C21H38O3/c1-3-5-6-7-9-12-15-19-20(24-19)16-13-10-8-11-14-17-21(22)23-18-4-2/h4,19-20H,2-3,5-18H2,1H3

InChIKey

KHPNSFFGLLOSHH-UHFFFAOYSA-N

Smiles

O1[C@@H](CCCCCCCC)[C@@H]1CCCCCCCC(=O)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 15900uL/kg (15.9mL/kg)   Union Carbide Data Sheet. Vol. 3/5/1959,
rat LD50 oral 1410uL/kg (1.41mL/kg)   Union Carbide Data Sheet. Vol. 3/5/1959,