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Substance Name: 2,2,6-Trimethylcyclohexanone
RN: 2408-37-9
UNII: CQ3ZL1YW7R
InChIKey: ZPVOLGVTNLDBFI-UHFFFAOYSA-N

Molecular Formula

  • C9-H16-O

Molecular Weight

  • 140.224
 
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Names and Synonyms

Name of Substance

  • 2,2,6-Trimethylcyclohexanone

Synonyms

  • 1,1,3-Trimethyl-2-cyclohexanone
  • 2,2,6-Trimethylcyclohexan-1-one
  • 2,2,6-Trimethylcyclohexanone
  • 2,6,6-Trimethylcyclohexan-1-one
  • 2,6,6-Trimethylcyclohexanone
  • Cyclohexanone, 2,2,6-trimethyl-
  • EINECS 219-309-9
  • FEMA No. 3473
  • NSC 401659
  • UNII-CQ3ZL1YW7R

Systematic Names

  • 2,2,6-Trimethylcyclohexan-1-one
  • Cyclohexanone, 2,2,6-trimethyl-

Superlist Name

  • 2,2,6-Trimethylcyclohexanone

Registry Numbers

CAS Registry Number

  • 2408-37-9

FDA UNII

  • CQ3ZL1YW7R

Other Registry Number

  • 62861-88-5

System Generated Number

  • 0002408379

Structure Descriptors

InChI

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

InChIKey

ZPVOLGVTNLDBFI-UHFFFAOYSA-N

Smiles

C1(C(CCC[C@@H]1C)(C)C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.18E+01 deg C   EXP
Boiling Point 178.5 deg C   EXP
log P (octanol-water) 2.410 (none)   EST
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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