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Substance Name: Acetyl carene
RN: 62501-24-0
InChIKey: DXLORVVCLBWYCC-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.273
 
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Names and Synonyms

Synonyms

  • 1-(3,7,7-Trimethylbicyclo(4.1.0)heptenyl)ethanone
  • EINECS 263-574-3

Systematic Names

  • 1-(3,7,7-Trimethylbicyclo(4.1.0)heptenyl)ethan-1-one
  • Acetyl carene
  • Ethanone, 1-(3,7,7-trimethylbicyclo(4.1.0)heptenyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 62501-24-0

System Generated Number

  • 0062501240

Structure Descriptors

InChI

1S/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h5,9-11H,6H2,1-4H3

InChIKey

DXLORVVCLBWYCC-UHFFFAOYSA-N

Smiles

C1([C@@H]2[C@@H]1C=C(C)[C@@H](C2)C(C)=O)(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. 13, Pg. 691, 1975.
rat LD50 oral 3100mg/kg (3100mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 691, 1975.