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Substance Name: Citronellyl nitrile, (+/-)-
RN: 51566-62-2
UNII: GP9AT16H16
InChIKey: MTDAKBBUYMYKAR-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H17-N

Molecular Weight

  • 151.2513
 
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Names and Synonyms

Name of Substance

  • Citronellyl nitrile, (+/-)-

Synonyms

  • 3,7-Dimethyl-6-octene-1-nitrile
  • Citronellonitrile
  • Citronellyl nitrile
  • EC 257-288-8
  • EINECS 257-288-8
  • UNII-GP9AT16H16

Systematic Names

  • 3,7-Dimethyloct-6-enenitrile
  • 6-Octenenitrile, 3,7-dimethyl-

Registry Numbers

CAS Registry Number

  • 51566-62-2

FDA UNII

  • GP9AT16H16

System Generated Number

  • 0051566622

Structure Descriptors

InChI

InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3

InChIKey

MTDAKBBUYMYKAR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.
rat LD50 oral 5300mg/kg (5300mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.