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Substance Name: Ethyl caproate
RN: 123-66-0
UNII: FLO6YR1SHT
InChIKey: SHZIWNPUGXLXDT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.212
 
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Names and Synonyms

Name of Substance

  • Ethyl caproate
  • Ethyl hexanoate

Synonyms

  • 4-02-00-00921 (Beilstein Handbook Reference)
  • Acetic acid, butyl-, ethyl ester
  • AI3-15347
  • BRN 1701293
  • Capronic ether absolute
  • CCRIS 6555
  • EINECS 204-640-3
  • Ethyl caproate
  • Ethyl hexanoate
  • Ethyl hexanoate (caproate)
  • Ethyl hexanoate (caproate) (natural)
  • Ethyl hexoate
  • FEMA No. 2439
  • Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide
  • NSC 8882
  • UNII-FLO6YR1SHT

Systematic Names

  • Ethyl hexanoate
  • Hexanoic acid, ethyl ester

Superlist Names

  • Ethyl caproate
  • Ethyl hexanoate
  • Hexanoic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 123-66-0

FDA UNII

  • FLO6YR1SHT

Other Registry Number

  • 8068-81-3

System Generated Number

  • 0000123660

Structure Descriptors

InChI

1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3

InChIKey

SHZIWNPUGXLXDT-UHFFFAOYSA-N

Smiles

C(C(OCC)=O)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.70E+01 deg C   EXP
Boiling Point 167 deg C   EXP
log P (octanol-water) 2.830 (none)   EST
Water Solubility 629 mg/L 25 EXP
Vapor Pressure 1.560 mm Hg 25 EST
Henry's Law Constant 7.23E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.16E-12 cm3/molecule-sec 25 EST

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