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Substance Name: 4-Methylhexan-3-one
RN: 17042-16-9
InChIKey: ULPMRIXXHGUZFA-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Synonym

  • EINECS 241-111-6

Systematic Names

  • 3-Hexanone, 4-methyl-
  • 4-Methylhexan-3-one

Registry Numbers

CAS Registry Number

  • 17042-16-9

System Generated Number

  • 0017042169

Structure Descriptors

InChI

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

InChIKey

ULPMRIXXHGUZFA-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 134.5 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Atmospheric OH Rate Constant 7.36E-12 cm3/molecule-sec 25 EST

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