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Substance Name: Ethyl undecanoate
RN: 627-90-7
UNII: Q5223I1993
InChIKey: IAFQYUQIAOWKSB-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.346
 
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Names and Synonyms

Name of Substance

  • Ethyl undecanoate

Synonyms

  • AI3-04250
  • EINECS 211-018-5
  • Ethyl hendecanoate
  • Ethyl undecanoate
  • Ethyl undecylate
  • FEMA No. 3492
  • Undecanoic acid, ethyl ester
  • UNII-Q5223I1993

Systematic Names

  • Ethyl undecanoate
  • Undecanoic acid, ethyl ester

Superlist Name

  • Ethyl undecanoate

Registry Numbers

CAS Registry Number

  • 627-90-7

FDA UNII

  • Q5223I1993

System Generated Number

  • 0000627907

Structure Descriptors

InChI

1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3

InChIKey

IAFQYUQIAOWKSB-UHFFFAOYSA-N

Smiles

C(CCCCCCCCC)C(OCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
log P (octanol-water) 5.280 (none)   EST
Water Solubility 1.130 mg/L 25 EST
Vapor Pressure 0.0043 mm Hg 20 EXP
Henry's Law Constant 2.98E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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