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Substance Name: Cyclohexylcarbinol
RN: 100-49-2
UNII: 4VDR6634UG
InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Name of Substance

  • Cyclohexylcarbinol
  • Cyclohexylmethanol

Synonyms

  • 4-06-00-00106 (Beilstein Handbook Reference)
  • AI3-01172
  • Benzyl alcohol, hexahydro-
  • BRN 0773712
  • Cyclohexanecarbinol
  • Cyclohexylcarbinol
  • Cyclohexylmethanol
  • Cyclohexylmethyl alcohol
  • EINECS 202-857-8
  • Hexahydrobenzyl alcohol
  • Hydroxymethylcyclohexane
  • Methanol, cyclohexyl-
  • NSC 5288
  • UNII-4VDR6634UG
  • USAF DO-49

Systematic Names

  • Cyclohexanemethanol
  • Cyclohexylmethanol

Registry Numbers

CAS Registry Number

  • 100-49-2

FDA UNII

  • 4VDR6634UG

System Generated Number

  • 0000100492

Structure Descriptors

InChI

1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2

InChIKey

VSSAZBXXNIABDN-UHFFFAOYSA-N

Smiles

C1(CCCCC1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.30E+01 deg C   EXP
Boiling Point 183 deg C   EXP
log P (octanol-water) 2.130 (none)   EST
Atmospheric OH Rate Constant 1.48E-11 cm3/molecule-sec 25 EST

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