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Substance Name: 2-Methylcyclohexanone
RN: 583-60-8
UNII: 56E8224ZFJ
InChIKey: LFSAPCRASZRSKS-UHFFFAOYSA-N

Classification Codes

  • TWA (50 ppm); STEL (75 ppm); skin
  • TWA 100 ppm (460 mg/m3); skin

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.171
 
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Names and Synonyms

Name of Substance

  • 2-Methylcyclohexanone

Synonyms

  • 2-Methyl-1-cyclohexanone
  • 2-Methyl-cyclohexanon
  • 2-Methyl-cyclohexanon [German, Dutch]
  • 2-Methylcyclohexanone
  • 2-Metilcicloesanone
  • 2-Metilcicloesanone [Italian]
  • AI3-15915
  • alpha-Methylcyclohexanone
  • EINECS 209-513-6
  • HSDB 2917
  • Methylanon
  • NSC 524
  • o-Methylcyclohexanone
  • Sexton B
  • UNII-56E8224ZFJ

Systematic Names

  • 2-Methylcyclohexanone
  • Cyclohexanone, 2-methyl-

Superlist Names

  • 2-Methylcyclohexanone
  • Cyclohexanone, 2-methyl-
  • o-Methylcyclohexanone

Registry Numbers

CAS Registry Number

  • 583-60-8

FDA UNII

  • 56E8224ZFJ

Other Registry Number

  • 24965-84-2

System Generated Number

  • 0000583608

Structure Descriptors

InChI

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

InChIKey

LFSAPCRASZRSKS-UHFFFAOYSA-N

Smiles

C1([C@@H](CCCC1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LDLo intravenous 270mg/kg (270mg/kg) CARDIAC: CHANGE IN RATE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953.
rabbit LD50 skin 1770uL/kg (1.77mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 2800ppm/4H (2800ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 2140uL/kg (2.14mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 162-163 deg C   EXP
log P (octanol-water) 1.540 (none)   EST
Water Solubility 5140 mg/L 25 EST
Vapor Pressure 2.25 mm Hg 20 EXP
Henry's Law Constant 6.79E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-11 cm3/molecule-sec 25 EST

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