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Substance Name: 2-Isooctanone
RN: 928-68-7
UNII: N203Q7UI56
InChIKey: DPLGXGDPPMLJHN-UHFFFAOYSA-N

Note

  • A cholesterol oxidation product.

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.213
 
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Names and Synonyms

Name of Substance

  • 2-Isooctanone

Synonyms

  • 2-Heptanone, 6-methyl-
  • 2-Methyl-6-heptanone
  • 6-Methyl-2-heptanone
  • EINECS 213-179-7
  • NSC 39665
  • UNII-N203Q7UI56

Systematic Names

  • 2-Heptanone, 6-methyl-
  • 6-Methylheptan-2-one

Registry Numbers

CAS Registry Number

  • 928-68-7

FDA UNII

  • N203Q7UI56

System Generated Number

  • 0000928687

Structure Descriptors

InChI

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

InChIKey

DPLGXGDPPMLJHN-UHFFFAOYSA-N

Smiles

C(CCCC(C)=O)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 167 deg C   EXP
log P (octanol-water) 2.150 (none)   EST
Atmospheric OH Rate Constant 9.58E-12 cm3/molecule-sec 25 EST

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