Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Allyl caproate
RN: 123-68-2
UNII: 3VH84A363D
InChIKey: RCSBILYQLVXLJG-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C9-H16-O2

Molecular Weight

  • 156.223
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Propenyl hexanoate
  • Allyl caproate
  • Hexanoic acid, 2-propenyl ester

Synonyms

  • 2-Propenyl hexanoate
  • 2-Propenyl n-hexanoate
  • 4-02-00-00924 (Beilstein Handbook Reference)
  • AI3-02950
  • Allyl caproate
  • Allyl hexanoate
  • Allyl hexanoate (natural)
  • Allylester kyseliny kapronove
  • Allylester kyseliny kapronove [Czech]
  • BRN 1761920
  • CCRIS 6549
  • EC 204-642-4
  • EINECS 204-642-4
  • FEMA No. 2032
  • Hexanoic acid, 2-propenyl ester
  • Hexanoic acid, allyl ester
  • NSC 20962
  • UNII-3VH84A363D

Systematic Names

  • Allyl hexanoate
  • Hexanoic acid, 2-propen-1-yl ester
  • Hexanoic acid, 2-propenyl ester
  • Hexanoic acid, allyl ester

Superlist Name

  • Allyl hexanoate

Registry Numbers

CAS Registry Number

  • 123-68-2

FDA UNII

  • 3VH84A363D

System Generated Number

  • 0000123682

Structure Descriptors

InChI

1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

InChIKey

RCSBILYQLVXLJG-UHFFFAOYSA-N

Smiles

C(C(OCC=C)=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 280mg/kg (280mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin 300mg/kg (300mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 489, 1973.
rat LD50 oral 218mg/kg (218mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.