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Substance Name: 2-Hexanone, 4-methyl-
RN: 105-42-0
InChIKey: XUPXMIAWKPTZLZ-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Synonyms

  • 4-Methyl-2-hexanone
  • Methyl 2-methylbutyl ketone
  • NSC 128218

Systematic Name

  • 2-Hexanone, 4-methyl-

Registry Numbers

CAS Registry Number

  • 105-42-0

System Generated Number

  • 0000105420

Structure Descriptors

InChI

1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3

InChIKey

XUPXMIAWKPTZLZ-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)C(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 144.5 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Atmospheric OH Rate Constant 1.18E-11 cm3/molecule-sec 25 EST

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