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Substance Name: Citronellic acid
RN: 502-47-6
UNII: 1JJT408R87
InChIKey: GJWSUKYXUMVMGX-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.25
 
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Names and Synonyms

Name of Substance

  • Citronellic acid

Synonyms

  • 3,7-Dimethyl-6-octenoic acid
  • 4-02-00-01610 (Beilstein Handbook Reference)
  • 6-Octenoic acid, 3,7-dimethyl-
  • BRN 1722960
  • Citronellic acid
  • EINECS 207-939-7
  • FEMA No. 3142
  • UNII-1JJT408R87

Systematic Names

  • 6-Octenoic acid, 3,7-dimethyl-
  • Citronellic acid

Superlist Name

  • Rhodinolic acid

Registry Numbers

CAS Registry Number

  • 502-47-6

FDA UNII

  • 1JJT408R87

Other Registry Number

  • 57030-77-0

System Generated Number

  • 0000502476

Structure Descriptors

InChI

1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)

InChIKey

GJWSUKYXUMVMGX-UHFFFAOYSA-N

Smiles

C([C@@H](CC(O)=O)C)C\C=C(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 450mg/kg (450mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 653, 1982.
rat LD50 oral 2610mg/kg (2610mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 653, 1982.