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Substance Name: Isobutyl valerate
RN: 10588-10-0
UNII: 9N1Y3169HV
InChIKey: ADNADZOSMJDVIS-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Name of Substance

  • Isobutyl valerate

Synonyms

  • AI3-24390
  • EINECS 234-191-9
  • Isobutyl n-valerate
  • UNII-9N1Y3169HV

Systematic Names

  • Isobutyl valerate
  • Pentanoic acid, 2-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 10588-10-0

FDA UNII

  • 9N1Y3169HV

System Generated Number

  • 0010588100

Structure Descriptors

InChI

1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3

InChIKey

ADNADZOSMJDVIS-UHFFFAOYSA-N

Smiles

O(C(=O)CCCC)CC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 179 deg C   EXP
log P (octanol-water) 3.250 (none)   EST
Atmospheric OH Rate Constant 7.64E-12 cm3/molecule-sec 25 EST

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