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Substance Name: 3,3,5-Trimethylcyclohexanone
RN: 873-94-9
UNII: QXG9U7N202
InChIKey: POSWICCRDBKBMH-UHFFFAOYSA-N

Molecular Formula

  • C9-H16-O

Molecular Weight

  • 140.224
 
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Names and Synonyms

Name of Substance

  • 3,3,5-Trimethylcyclohexanone
  • Dihydro-isophorone

Synonyms

  • 3,3,5-Trimethylcyclohexanone
  • AI3-33978
  • Dihydroisophorone
  • EC 212-855-9
  • EINECS 212-855-9
  • UNII-QXG9U7N202

Systematic Names

  • 3,3,5-Trimethylcyclohexan-1-one
  • 3,5,5-Trimethylcyclohexanone
  • Cyclohexanone, 3,3,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 873-94-9

FDA UNII

  • QXG9U7N202

Other Registry Number

  • 33496-91-2

System Generated Number

  • 0000873949

Structure Descriptors

InChI

1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3

InChIKey

POSWICCRDBKBMH-UHFFFAOYSA-N

Smiles

C1(C[C@@H](CC(C1)=O)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 14200mg/m3 (14200mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: COMA
National Technical Information Service. Vol. OTS0572861,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 189 deg C   EXP
log P (octanol-water) 2.410 (none)   EST
Atmospheric OH Rate Constant 1.29E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.