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Substance Name: Isopropyl butyrate
RN: 638-11-9
UNII: 7P33GFV8SS
InChIKey: FFOPEPMHKILNIT-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • Isopropyl butyrate

Synonyms

  • 1-Methylethyl butanoate
  • AI3-35952
  • Butanoic acid, 1-methylethyl ester
  • Butyric acid, isopropyl ester
  • EINECS 211-320-7
  • FEMA No. 2935
  • Isopropyl butanoate
  • Isopropyl butyrate
  • UNII-7P33GFV8SS

Systematic Names

  • Butanoic acid, 1-methylethyl ester
  • Butanoic acid, 2-methylethyl ester
  • Isopropyl butyrate

Superlist Names

  • Isopropyl butyrate
  • Isopropyl butyrate [UN2405] [Flammable liquid]
  • UN2405

Registry Numbers

CAS Registry Number

  • 638-11-9

FDA UNII

  • 7P33GFV8SS

System Generated Number

  • 0000638119

Structure Descriptors

InChI

InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3

InChIKey

FFOPEPMHKILNIT-UHFFFAOYSA-N

Smiles

CCCC(=O)OC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 130.5 deg C   EXP
log P (octanol-water) 2.260 (none)   EST
Atmospheric OH Rate Constant 5.11E-12 cm3/molecule-sec 25 EST

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