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Substance Name: Methyl cyclohexanecarboxylate
RN: 4630-82-4
UNII: 96144H696Q
InChIKey: ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.1966
 
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Names and Synonyms

Name of Substance

  • Methyl cyclohexanecarboxylate

Synonyms

  • 4-09-00-00017 (Beilstein Handbook Reference)
  • AI3-04803
  • BRN 1306359
  • Cyclohexanecarboxylic acid, methyl ester
  • EINECS 225-050-2
  • FEMA No. 3568
  • Hexahydrobenzoic acid methyl ester
  • Methyl cyclohexanecarboxylate
  • Methyl cyclohexanoate
  • Methyl cyclohexylcarboxylate
  • Methyl cyclohexylformate
  • Methyl hexahydrobenzoate
  • UNII-96144H696Q

Systematic Names

  • Cyclohexanecarboxylic acid, methyl ester
  • Methyl cyclohexanecarboxylate

Superlist Name

  • Methyl cyclohexanecarboxylate

Registry Numbers

CAS Registry Number

  • 4630-82-4

FDA UNII

  • 96144H696Q

System Generated Number

  • 0004630824

Structure Descriptors

InChI

1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Smiles

COC(=O)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3881mg/kg (3881mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 183 deg C   EXP
log P (octanol-water) 2.640 (none)   EST
Atmospheric OH Rate Constant 8.19E-12 cm3/molecule-sec 25 EST

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