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Substance Name: 4,4-Dimethylpentan-2-one
RN: 590-50-1
InChIKey: AZASWMGVGQEVCS-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O

Molecular Weight

  • 114.187
 
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Names and Synonyms

Synonym

  • EINECS 209-685-2

Systematic Names

  • 2-Pentanone, 4,4-dimethyl-
  • 4,4-Dimethylpentan-2-one

Registry Numbers

CAS Registry Number

  • 590-50-1

System Generated Number

  • 0000590501

Structure Descriptors

InChI

1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3

InChIKey

AZASWMGVGQEVCS-UHFFFAOYSA-N

Smiles

C(CC(C)=O)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.40E+01 deg C   EXP
Boiling Point 126 deg C   EXP
log P (octanol-water) 1.620 (none)   EST
Atmospheric OH Rate Constant 1.47E-12 cm3/molecule-sec 25 EST

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