Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Methyl caproate
RN: 106-70-7
UNII: 246364VPJS

Classification Code

  • Natural Product

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.1856
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)

Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Methyl caproate

Name of Substance

  • Hexanoic acid, methyl ester
  • Methyl caproate
  • Methyl hexanoate


  • 4-02-00-00921 (Beilstein Handbook Reference)
  • BRN 1744683
  • EC 203-425-1
  • EINECS 203-425-1
  • FEMA No. 2708
  • Methyl caproate
  • Methyl caproate (natural)
  • Methyl capronate
  • Methyl hexanoate
  • Methyl hexoate
  • Methyl hexylate
  • Methyl n-hexanoate
  • NSC 5023
  • UNII-246364VPJS

Systematic Names

  • Hexanoic acid, methyl ester
  • Methyl hexanoate

Superlist Name

  • Methyl hexanoate

Registry Numbers

CAS Registry Number

  • 106-70-7


  • 246364VPJS

System Generated Number

  • 0000106707

Structure Descriptors








Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 745, 1982.
mammal (species unspecified) LC50 inhalation 11500mg/m3 (11500mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 14gm/m3/2H (14000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.
mouse LDLo intravenous 48mg/kg (48mg/kg)   Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 745, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.10E+01 deg C   EXP
Boiling Point 149.5 deg C   EXP
log P (octanol-water) 2.340 (none)   EST
Water Solubility 1330 mg/L 20 EXP
Vapor Pressure 3.72 mm Hg 25 EXP
Henry's Law Constant 3.67E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.72E-12 cm3/molecule-sec 25 EST

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