3-Acetyl-2,6-heptanedione

CAS Registry Number®

29214-57-1

CAS Name

3-Acetyl-2,6-heptanedione

Molecular Formula

C9H14O3

Molecular Mass

170.21

Cite this Page

3-Acetyl-2,6-heptanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29214-57-1 (retrieved 2024-11-24) (CAS RN: 29214-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    97-101 °C @ Press: 0.8 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3

InChIKey

InChIKey=RQZJIXZNJBCGQC-UHFFFAOYSA-N

SMILES

C(CCC(C)=O)(C(C)=O)C(C)=O

Canonical SMILES

O=C(C)CCC(C(=O)C)C(=O)C

Other Names for this Substance

  • 2,6-Heptanedione, 3-acetyl-
  • 3-Acetyl-2,6-heptanedione
  • NSC 111324

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