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Substance Name: Geranylacetone
RN: 689-67-8
InChIKey: HNZUNIKWNYHEJJ-FMIVXFBMSA-N

Note

  • Decomposition product of squalene by Arthrobacter sp..

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H22-O

Molecular Weight

  • 194.316
 
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Names and Synonyms

Name of Substance

  • Geranylacetone

Synonyms

  • 6,10-Dimethyl-undeca-5,9-dien-2-one
  • AI3-04987
  • Dihydropseudoionone
  • EC 211-711-2
  • EINECS 211-711-2
  • FEMA No. 3542
  • Geranyl acetone
  • NSC 406679

Systematic Names

  • 5,9-Undecadien-2-one, 6,10-dimethyl-
  • 6,10-Dimethylundeca-5,9-dien-2-one

Registry Numbers

CAS Registry Number

  • 689-67-8

System Generated Number

  • 0000689678

Structure Descriptors

InChI

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChIKey

HNZUNIKWNYHEJJ-FMIVXFBMSA-N

Smiles

CC(=CCC\C(=C\CCC(=O)C)\C)C

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. 787, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 787, 1979.