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Substance Name: Isobutyl 4-oxovalerate
RN: 3757-32-2
InChIKey: WETOYPNHZMSVFZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H16-O3

Molecular Weight

  • 172.222
 
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Names and Synonyms

Synonyms

  • AI3-31915
  • EINECS 223-162-6

Systematic Names

  • Isobutyl 4-oxovalerate
  • Pentanoic acid, 4-oxo-, 2-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 3757-32-2

System Generated Number

  • 0003757322

Structure Descriptors

InChI

1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3

InChIKey

WETOYPNHZMSVFZ-UHFFFAOYSA-N

Smiles

C(=O)(OCC(C)C)CCC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 228 deg C   EXP
log P (octanol-water) 1.200 (none)   EST
Atmospheric OH Rate Constant 6.65E-12 cm3/molecule-sec 25 EST

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