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Substance Name: Ethyl 6-cyanohexanoate
RN: 10137-65-2
UNII: 1A0611B745
InChIKey: WPGIMPZMPWRYAI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H15-N-O2

Molecular Weight

  • 169.223
 
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Names and Synonyms

Name of Substance

  • Ethyl 6-cyanohexanoate

Synonyms

  • 4-02-00-02006 (Beilstein Handbook Reference)
  • 6-Cyanohexanoic acid, ethyl ester
  • BRN 1762711
  • NSC 92771
  • UNII-1A0611B745

Systematic Name

  • Hexanoic acid, 6-cyano-, ethyl ester

Registry Numbers

CAS Registry Number

  • 10137-65-2

FDA UNII

  • 1A0611B745

System Generated Number

  • 0010137652

Structure Descriptors

InChI

1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-7H2,1H3

InChIKey

WPGIMPZMPWRYAI-UHFFFAOYSA-N

Smiles

C(CCCCCC#N)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 7070uL/kg (7.07mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 11200uL/kg (11.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.