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Substance Name: Butyl valerate
RN: 591-68-4
UNII: F93Z6CCM06
InChIKey: OKJADYKTJJGKDX-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.2392
 
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Names and Synonyms

Name of Substance

  • Butyl valerate

Synonyms

  • AI3-30051
  • Butyl pentanoate
  • Butyl valerate
  • Butyl valerianate
  • EINECS 209-728-5
  • FEMA No. 2217
  • n-Butyl valerate
  • Pentanoic acid, butyl ester
  • UNII-F93Z6CCM06
  • Valeric acid, butyl ester

Systematic Names

  • Butyl valerate
  • Pentanoic acid, butyl ester

Superlist Name

  • Butyl valerate

Registry Numbers

CAS Registry Number

  • 591-68-4

FDA UNII

  • F93Z6CCM06

System Generated Number

  • 0000591684

Structure Descriptors

InChI

1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3

InChIKey

OKJADYKTJJGKDX-UHFFFAOYSA-N

Smiles

CCCCC(=O)OCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.28E+01 deg C   EXP
Boiling Point 185.8 deg C   EXP
log P (octanol-water) 3.320 (none)   EST
Atmospheric OH Rate Constant 7.65E-12 cm3/molecule-sec 25 EST

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