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Substance Name: Ethyl iso-amyl ketone
RN: 624-42-0
UNII: AOG1YZD9QO
InChIKey: CCCIYAQYQZQDIZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.2134
 
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Names and Synonyms

Name of Substance

  • Ethyl iso-amyl ketone

Synonyms

  • 3-Heptanone, 6-methyl-
  • 6-Methyl-3-heptanone
  • 6-Methylheptan-3-one
  • 6-methylheptane-3-one
  • EINECS 210-844-3
  • Ethyl isoamyl ketone
  • HSDB 2841
  • UNII-AOG1YZD9QO

Systematic Names

  • 3-Heptanone, 6-methyl-
  • 6-Methylheptan-3-one

Registry Numbers

CAS Registry Number

  • 624-42-0

FDA UNII

  • AOG1YZD9QO

System Generated Number

  • 0000624420

Structure Descriptors

InChI

InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3

InChIKey

CCCIYAQYQZQDIZ-UHFFFAOYSA-N

Smiles

CCC(=O)CCC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 164 deg C   EXP
log P (octanol-water) 2.150 (none)   EST
Water Solubility 1370 mg/L 25 EST
Vapor Pressure 2.750 mm Hg 25 EST
Henry's Law Constant 2.68E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.29E-12 cm3/molecule-sec 25 EST

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