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Substance Name: beta-Isophorone
RN: 471-01-2
UNII: R817UQW62V
InChIKey: LKOKKQDYMZUSCG-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H14-O

Molecular Weight

  • 138.209
 
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Names and Synonyms

Name of Substance

  • beta-Isophorone

Synonyms

  • 3,5,5-Trimethyl-3-cyclohexen-1-one
  • AI3-33979
  • beta-Isophorone
  • beta-Phorone
  • EC 207-434-1
  • EINECS 207-434-1
  • UNII-R817UQW62V

Systematic Names

  • 3,5,5-Trimethylcyclohex-3-en-1-one
  • 3-Cyclohexen-1-one, 3,5,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 471-01-2

FDA UNII

  • R817UQW62V

System Generated Number

  • 0000471012

Structure Descriptors

InChI

1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3

InChIKey

LKOKKQDYMZUSCG-UHFFFAOYSA-N

Smiles

C1(C=C(CC(C1)=O)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2950mg/kg (2950mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LIVER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0521606,