3-(Phenylmethylene)-2,4-pentanedione

CAS Registry Number®

4335-90-4

CAS Name

3-(Phenylmethylene)-2,4-pentanedione

Molecular Formula

C12H12O2

Molecular Mass

188.22

Cite this Page

3-(Phenylmethylene)-2,4-pentanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4335-90-4 (retrieved 2024-11-22) (CAS RN: 4335-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    150-152 °C @ Press: 15 Torr

  • Melting Point (2)

    169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3

InChIKey

InChIKey=NYRGMNMVISROGJ-UHFFFAOYSA-N

SMILES

C(=CC1=CC=CC=C1)(C(C)=O)C(C)=O

Canonical SMILES

O=C(C(=CC=1C=CC=CC1)C(=O)C)C

Other Names for this Substance

  • 2,4-Pentanedione, 3-(phenylmethylene)-
  • 2,4-Pentanedione, 3-benzylidene-
  • 3-(Phenylmethylene)-2,4-pentanedione
  • Benzylidene acetylacetone
  • 3-Benzylideneacetylacetone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration