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Substance Name: Isoamyl isobutyrate
RN: 2050-01-3
UNII: RF0ZT103EG
InChIKey: VFTGLSWXJMRZNB-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.2392
 
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Names and Synonyms

Results Name

  • Isoamyl isobutyrate

Name of Substance

  • Isoamyl isobutyrate

Synonyms

  • 3-Methyl-1-butyl isobutyrate
  • 3-Methylbutyl 2-methylpropanoate
  • 3-Methylbutyl 2-methylpropanoate (natural)
  • 3-Methylbutyl isobutyrate
  • AI3-33583
  • EINECS 218-078-1
  • FEMA No. 3507
  • Isoamyl 2-methylpropanoate
  • Isobutyric acid, isopentyl ester
  • Isopentyl 2-methylpropanoate
  • Isopentyl alcohol, isobutyrate
  • Isopentyl isobutyrate
  • Propanoic acid, 2-methyl-, 3-methylbutyl ester
  • UNII-RF0ZT103EG

Systematic Names

  • 3-Methylbutyl isobutyrate
  • Propanoic acid, 2-methyl-, 3-methylbutyl ester

Superlist Name

  • Isoamyl isobutyrate

Registry Numbers

CAS Registry Number

  • 2050-01-3

FDA UNII

  • RF0ZT103EG

System Generated Number

  • 0002050013

Structure Descriptors

InChI

1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

VFTGLSWXJMRZNB-UHFFFAOYSA-N

Smiles

CC(C)CCOC(=O)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 168.5 deg C   EXP
log P (octanol-water) 3.170 (none)   EST
Atmospheric OH Rate Constant 6.91E-12 cm3/molecule-sec 25 EST

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