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Substance Name: Allyl heptanoate
RN: 142-19-8
UNII: AU4CYG9V68
InChIKey: SJWKGDGUQTWDRV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.2502
 
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Names and Synonyms

Name of Substance

  • Allyl heptanoate

Synonyms

  • 2-Propenyl heptanoate
  • AI3-36009
  • Allyl enanthate
  • Allyl heptanoate
  • Allyl heptanoate (natural)
  • Allyl heptoate
  • Allyl heptylate
  • Allylester kyseliny enanthove
  • Allylester kyseliny enanthove [Czech]
  • EC 205-527-1
  • EINECS 205-527-1
  • FEMA No. 2031
  • Heptanoic acid, 2-propenyl ester
  • Heptanoic acid, allyl ester
  • NSC 20969
  • UNII-AU4CYG9V68

Systematic Names

  • Allyl heptanoate
  • Heptanoic acid, 2-propen-1-yl ester
  • Heptanoic acid, 2-propenyl ester
  • Heptanoic acid, allyl ester

Superlist Name

  • Allyl heptanoate

Registry Numbers

CAS Registry Number

  • 142-19-8

FDA UNII

  • AU4CYG9V68

System Generated Number

  • 0000142198

Structure Descriptors

InChI

1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3

InChIKey

SJWKGDGUQTWDRV-UHFFFAOYSA-N

Smiles

CCCCCCC(=O)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 444mg/kg (444mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse LD50 oral 630mg/kg (630mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.
rabbit LD50 skin 810mg/kg (810mg/kg)   Food and Cosmetics Toxicology. Vol. 15, Pg. 619, 1977.
rat LD50 oral 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.