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Substance Name: Cyclohexanol, 2-methyl-
RN: 583-59-5
InChIKey: NDVWOBYBJYUSMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Synonyms

  • 1-Methyl-2-cyclohexanol
  • 2-Methyl-1-cyclohexanol
  • 2-Methylcyclohexanol
  • 2-Methylcyclohexyl alcohol
  • 3-06-00-00063 (Beilstein Handbook Reference)
  • AI3-01177
  • BRN 1847535
  • EC 209-512-0
  • EINECS 209-512-0
  • NSC 75845
  • o-Methylcyclohexanol

Systematic Names

  • 2-Methylcyclohexanol, mixed isomers
  • Cyclohexanol, 2-methyl-
  • Cyclohexanol, o-methyl-

Registry Numbers

CAS Registry Number

  • 583-59-5

System Generated Number

  • 0000583595

Structure Descriptors

InChI

1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3

InChIKey

NDVWOBYBJYUSMF-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H](CCC1)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1gm/kg (1000mg/kg)   Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 164.5 deg C   EXP
log P (octanol-water) 2.050 (none)   EST
Water Solubility 9140 mg/L 25 EST
Vapor Pressure 0.291 mm Hg 25 EST
Henry's Law Constant 7.58E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.92E-11 cm3/molecule-sec 25 EST

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