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Substance Name: 4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one
RN: 67801-38-1
UNII: 67GL43KSFC
InChIKey: FETSKTIMHFKZNF-AATRIKPKSA-N

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • 4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one

Synonyms

  • 3-07-00-00646 (Beilstein Handbook Reference)
  • 4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,4,6-Trimethyl-4-cyclohexen-1-yl)-3-buten-2-one
  • BRN 3243121
  • EINECS 267-158-2
  • Iritone
  • UNII-67GL43KSFC

Systematic Names

  • 3-Buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
  • 4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one

Registry Numbers

CAS Registry Number

  • 67801-38-1

FDA UNII

  • 67GL43KSFC

System Generated Number

  • 0067801381

Structure Descriptors

InChI

1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h5-7,10-11,13H,8H2,1-4H3/b6-5+

InChIKey

FETSKTIMHFKZNF-AATRIKPKSA-N

Smiles

O=C(\C=C\[C@@H]1[C@@H](CC(=C[C@@H]1C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 131S, 1992.
rat LD50 oral 5200mg/kg (5200mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 131S, 1992.