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Substance Name: Cyclohexaneacetic acid
RN: 5292-21-7
UNII: V43K3TO0HN
InChIKey: LJOODBDWMQKMFB-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.197
 
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Names and Synonyms

Name of Substance

  • Cyclohexaneacetic acid

Synonyms

  • 4-09-00-00038 (Beilstein Handbook Reference)
  • AI3-14243
  • BRN 2041326
  • Cyclohexaneacetic acid
  • Cyclohexylacetic acid
  • Cyclohexylethanoic acid
  • EINECS 226-132-0
  • FEMA No. 2347
  • Hexahydrophenylacetic acid
  • NSC 2159
  • UNII-V43K3TO0HN

Systematic Names

  • Cyclohexaneacetic acid
  • Cyclohexylacetic acid

Superlist Name

  • Cyclohexaneacetic acid

Registry Numbers

CAS Registry Number

  • 5292-21-7

FDA UNII

  • V43K3TO0HN

System Generated Number

  • 0005292217

Structure Descriptors

InChI

InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)

InChIKey

LJOODBDWMQKMFB-UHFFFAOYSA-N

Smiles

OC(=O)CC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00770,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33 deg C   EXP
Boiling Point 245 deg C   EXP
pKa Dissociation Constant 4.8 (none)   EXP
log P (octanol-water) 2.850 (none)   EST
Water Solubility 2880 mg/L 25 EXP
Vapor Pressure 0.029 mm Hg 25 EST
Henry's Law Constant 1.32E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-11 cm3/molecule-sec 25 EST

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