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Substance Name: Ethyl 2-acetyloctanoate
RN: 29214-60-6
UNII: 6C0M05YGSF
InChIKey: BRGRZPQESQKATK-UHFFFAOYSA-N

Molecular Formula

  • C12-H22-O3

Molecular Weight

  • 214.303
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-acetyloctanoate

Synonyms

  • 3-03-00-01269 (Beilstein Handbook Reference)
  • BRN 1774721
  • EINECS 249-518-0
  • Ethyl 2-acetylcaprylate
  • Ethyl 2-acetyloctanoate
  • Ethyl alpha-hexylacetoacetate
  • Ethyl-2-hexyl acetaoacetate
  • Ethyl-2-hexyl acetoacetate
  • n-Hexylethyl acetaoacetate
  • Octanoic acid, 2-acetyl-, ethyl ester
  • UNII-6C0M05YGSF

Systematic Names

  • Ethyl 2-acetyloctanoate
  • Octanoic acid, 2-acetyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 29214-60-6

FDA UNII

  • 6C0M05YGSF

System Generated Number

  • 0029214606

Structure Descriptors

InChI

1S/C12H22O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h11H,4-9H2,1-3H3

InChIKey

BRGRZPQESQKATK-UHFFFAOYSA-N

Smiles

O=C(OCC)[C@@H](C(=O)C)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 454, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 454, 1975.