3-Methyl-2,5-hexanedione

CAS Registry Number®

4437-50-7
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CAS Name

3-Methyl-2,5-hexanedione

Molecular Formula

C7H12O2

Molecular Mass

128.17

Cite this Page

3-Methyl-2,5-hexanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4437-50-7 (retrieved 2024-07-06) (CAS RN: 4437-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    196 °C

  • Density (2)

    0.9527 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3

InChIKey

InChIKey=NLLILAUVOOREKR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,5-Hexanedione, 3-methyl-
  • 3-Methyl-2,5-hexanedione