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Substance Name: Cyclohexanone, methyl-
RN: 1331-22-2
InChIKey: VGVHNLRUAMRIEW-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.171
 
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Names and Synonyms

Synonyms

  • EINECS 215-556-1
  • Methylcyclohexanone
  • Metylocykloheksanon
  • Metylocykloheksanon [Polish]

Systematic Names

  • Cyclohexanone, methyl-
  • Methylcyclohexanone

Superlist Names

  • Methylcyclohexanone [UN2297] [Flammable liquid]
  • UN2297

Registry Numbers

CAS Registry Number

  • 1331-22-2

System Generated Number

  • 0001331222

Structure Descriptors

InChI

1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

InChIKey

VGVHNLRUAMRIEW-UHFFFAOYSA-N

Smiles

C1(CCC(=O)CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 1gm/kg (1000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943.
rabbit LDLo skin 4900mg/kg (4900mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.540 (none)   EST
Water Solubility 2.15E+04 mg/L 20 EXP
Vapor Pressure 2.070 mm Hg 25 EST
Henry's Law Constant 6.79E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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