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Substance Name: Isopropyl isobutyrate
RN: 617-50-5
UNII: IB2671N3UT
InChIKey: WVRPFQGZHKZCEB-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • Isopropyl isobutyrate

Synonyms

  • 1-Methylethyl 2-methylpropanoate
  • EINECS 210-517-5
  • FEMA No. 2937
  • Isobutyric acid, isopropyl ester
  • Isopropyl 2-methylpropanoate
  • Isopropyl isobutyrate
  • Propanoic acid, 2-methyl-, 1-methylethyl ester
  • UNII-IB2671N3UT

Systematic Names

  • Isopropyl isobutyrate
  • Propanoic acid, 2-methyl-, 1-methylethyl ester

Superlist Names

  • Isopropyl isobutyrate
  • Isopropyl isobutyrate [UN2406] [Flammable liquid]
  • UN2406

Registry Numbers

CAS Registry Number

  • 617-50-5

FDA UNII

  • IB2671N3UT

System Generated Number

  • 0000617505

Structure Descriptors

InChI

InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3

InChIKey

WVRPFQGZHKZCEB-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 120.7 deg C   EXP
log P (octanol-water) 2.190 (none)   EST
Water Solubility 1240 mg/L 25 EST
Vapor Pressure 16 mm Hg 25 EXP
Henry's Law Constant 5.45E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.37E-12 cm3/molecule-sec 25 EST

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