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Substance Name: Geranonitrile
RN: 5585-39-7
UNII: W889CV0E9F
InChIKey: HLCSDJLATUNSSI-JXMROGBWSA-N

Molecular Formula

  • C10-H15-N

Molecular Weight

  • 149.2355
 
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Names and Synonyms

Name of Substance

  • Geranonitrile

Synonyms

  • (E)-3,7-Dimethyl-2,6-octadienenitrile
  • EINECS 226-982-2
  • Geranonitrile
  • Geranyl nitrile
  • UNII-W889CV0E9F

Systematic Names

  • (E)-3,7-Dimethyl-2,6-octadienenitrile
  • 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)-
  • 2,6-Octadienenitrile, 3,7-dimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 5585-39-7

FDA UNII

  • W889CV0E9F

System Generated Number

  • 0005585397

Structure Descriptors

InChI

InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+

InChIKey

HLCSDJLATUNSSI-JXMROGBWSA-N

Smiles

CC(=CCC\C(=C\C#N)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4300mg/kg (4300mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 787, 1976.
rat LD50 oral 3100mg/kg (3100mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 787, 1976.