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Substance Name: Allyl octanoate
RN: 4230-97-1
UNII: 17ZH17CKME
InChIKey: PZGMUSDNQDCNAG-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H20-O2

Molecular Weight

  • 184.277
 
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Names and Synonyms

Name of Substance

  • Allyl octanoate

Synonyms

  • 2-Propenyl octanoate
  • 2-Propenyl octylate
  • 3-02-00-00795 (Beilstein Handbook Reference)
  • AI3-36007
  • Allyl caprylate
  • Allyl octanoate
  • Allyl octylate
  • BRN 1768774
  • EINECS 224-184-9
  • FEMA No. 2037
  • NSC 32645
  • Octanoic acid, 2-propenyl ester
  • Octanoic acid, allyl ester
  • UNII-17ZH17CKME

Systematic Names

  • Allyl octanoate
  • Octanoic acid, 2-propen-1-yl ester
  • Octanoic acid, 2-propenyl ester
  • Octanoic acid, allyl ester

Superlist Name

  • Allyl octanoate

Registry Numbers

CAS Registry Number

  • 4230-97-1

FDA UNII

  • 17ZH17CKME

System Generated Number

  • 0004230971

Structure Descriptors

InChI

1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3

InChIKey

PZGMUSDNQDCNAG-UHFFFAOYSA-N

Smiles

C(CCCCCCC)(OCC=C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 570mg/kg (570mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 643, 1978.