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Substance Name: Isovaleryl chloride
RN: 108-12-3
UNII: J2ML32M57V
InChIKey: ISULZYQDGYXDFW-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Cl-O

Molecular Weight

  • 120.578
 
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Names and Synonyms

Name of Substance

  • Isovaleryl chloride

Synonyms

  • EC 203-552-2
  • EINECS 203-552-2
  • UNII-J2ML32M57V

Systematic Names

  • Butanoyl chloride, 3-methyl-
  • Isovaleryl chloride

Registry Numbers

CAS Registry Number

  • 108-12-3

FDA UNII

  • J2ML32M57V

System Generated Number

  • 0000108123

Structure Descriptors

InChI

1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

InChIKey

ISULZYQDGYXDFW-UHFFFAOYSA-N

Smiles

ClC(=O)CC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 114 deg C   EXP
log P (octanol-water) 0.930 (none)   EST
Atmospheric OH Rate Constant 7.98E-12 cm3/molecule-sec 25 EST

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