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Substance Name: Irone
RN: 1335-94-0
InChIKey: LMWNGLDCJDIIBR-CMDGGOBGSA-N

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.3268
 
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Names and Synonyms

Synonyms

  • Methylionone
  • RTECS NX6566000

Systematic Name

  • Irone

Registry Numbers

CAS Registry Number

  • 1335-94-0

Other Registry Numbers

  • 1335-68-8
  • 8053-28-9

System Generated Number

  • 0001335940

Structure Descriptors

InChI

1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+

InChIKey

LMWNGLDCJDIIBR-CMDGGOBGSA-N

Smiles

CCC(=O)/C=C/C1=C(CCCC1(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. 13, Pg. 863, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 863, 1975.