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Substance Name: 3-Methyl-2-cyclohexen-1-one
RN: 1193-18-6
UNII: 786Y352V9X
InChIKey: IITQJMYAYSNIMI-UHFFFAOYSA-N

Note

  • In a releaser significantly reduced trap catches and spruce beetle attacks on standing live spruce by 96 and 87%, respectively.

Molecular Formula

  • C7-H10-O

Molecular Weight

  • 110.155
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-2-cyclohexen-1-one

Synonyms

  • 2-Cyclohexen-1-one, 3-methyl-
  • 3-Methyl-2-cyclohexen-1-one
  • 3-Methyl-2-cyclohexenone
  • 4-07-00-00130 (Beilstein Handbook Reference)
  • AI3-19937
  • BRN 1560601
  • Caswell No. 561AB
  • EINECS 214-769-7
  • EPA Pesticide Chemical Code 219700
  • FEMA No. 3360
  • MCH
  • Methylcyclohexenone
  • NSC 43632
  • Seudenone
  • UNII-786Y352V9X

Systematic Names

  • 2-Cyclohexen-1-one, 3-methyl-
  • 3-Methylcyclohex-2-en-1-one

Superlist Name

  • 3-Methyl-2-cyclohexen-1-one

Registry Numbers

CAS Registry Number

  • 1193-18-6

FDA UNII

  • 786Y352V9X

System Generated Number

  • 0001193186

Structure Descriptors

InChI

1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3

InChIKey

IITQJMYAYSNIMI-UHFFFAOYSA-N

Smiles

C1=C(CCCC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 273, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.10E+01 deg C   EXP
Boiling Point 201 deg C   EXP
log P (octanol-water) 1.750 (none)   EST
Atmospheric OH Rate Constant 8.48E-11 cm3/molecule-sec 25 EST

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