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Substance Name: Hexanoic acid, 5-oxo-, ethyl ester
RN: 13984-57-1
InChIKey: MGPSIDGTLFKDEY-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O3

Molecular Weight

  • 158.196
 
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Names and Synonyms

Synonyms

  • 5-Oxohexanoic acid ethyl ester
  • EINECS 237-776-7
  • Ethyl 5-oxohexanoate

Systematic Names

  • Ethyl 4-acetylbutyrate
  • Hexanoic acid, 5-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 13984-57-1

System Generated Number

  • 0013984571

Structure Descriptors

InChI

1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3

InChIKey

MGPSIDGTLFKDEY-UHFFFAOYSA-N

Smiles

O=C(OCC)CCCC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 221.5 deg C   EXP
log P (octanol-water) 0.780 (none)   EST
Atmospheric OH Rate Constant 7.46E-12 cm3/molecule-sec 25 EST

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