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Substance Name: 2-Cyclohexylethanol
RN: 4442-79-9
UNII: 653AOK9PUO
InChIKey: QJQZRLXDLORINA-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.213
 
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Names and Synonyms

Name of Substance

  • 2-Cyclohexylethanol

Synonyms

  • 2-Cyclohexylethanol
  • 4-06-00-00119 (Beilstein Handbook Reference)
  • AI3-03883
  • BRN 1848152
  • Cyclohexylethyl alcohol
  • EINECS 224-672-1
  • Ethanol, 2-cyclohexyl-
  • Hexahydrophenylethyl alcohol
  • NSC 30157
  • UNII-653AOK9PUO

Systematic Names

  • Cyclohexaneethanol
  • Cyclohexylethanol
  • Ethanol, 2-cyclohexyl-

Registry Numbers

CAS Registry Number

  • 4442-79-9

FDA UNII

  • 653AOK9PUO

System Generated Number

  • 0004442799

Structure Descriptors

InChI

1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2

InChIKey

QJQZRLXDLORINA-UHFFFAOYSA-N

Smiles

C1(CCCCC1)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1220mg/kg (1220mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 785, 1975.
rat LD50 oral 940mg/kg (940mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 785, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
Boiling Point 208 deg C   EXP
log P (octanol-water) 2.620 (none)   EST
Water Solubility 1750 mg/L 25 EST
Henry's Law Constant 8.63E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-11 cm3/molecule-sec 25 EST

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