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Substance Name: Ethyl caprate
RN: 110-38-3
UNII: GY39FB86UO
InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • Ethyl caprate
  • Ethyl decanoate

Synonyms

  • 4-02-00-01044 (Beilstein Handbook Reference)
  • AI3-01976
  • BRN 1762128
  • Capric acid ethyl ester
  • Decanoic acid, ethyl ester
  • EINECS 203-761-9
  • Ethyl caprate
  • Ethyl caprinate
  • Ethyl decanoate
  • Ethyl decanoate (natural)
  • Ethyl decylate
  • FEMA No. 2432
  • NSC 8909
  • UNII-GY39FB86UO

Systematic Names

  • Decanoic acid, ethyl ester
  • Ethyl decanoate

Superlist Name

  • Ethyl decanoate

Registry Numbers

CAS Registry Number

  • 110-38-3

FDA UNII

  • GY39FB86UO

System Generated Number

  • 0000110383

Structure Descriptors

InChI

1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3

InChIKey

RGXWDWUGBIJHDO-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)C(OCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
Boiling Point 241.5 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Water Solubility 15.9 mg/L 25 EXP
Vapor Pressure 0.031 mm Hg 25 EST
Henry's Law Constant 2.25E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-11 cm3/molecule-sec 25 EST

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