Molecular properties
- Formula
- C10H10O2
- Molar mass
- 162.19 g·mol−1
- Exact mass
- 162.0681 Da
- 6
- PubChem CID
- 7166
Molecule record
1-phenylbutane-1,3-dione
C10H10O2
162.19 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- .alpha.-Acetylacetophenone
- 1,3-Butanedione, 1-phenyl-
- 1-Benzoyl-2-propanone
- 1-Benzoylacetone
- 1-PHENYL-1,3-BUTANEDIONE
- 1-phenyl-butane-1,3-dione
- 2-Acetylacetophenone
- 2-Propanone, benzoyl-
Show all 24 synonyms
- 93-91-4
- AI3-10572
- Acetoacetophenone
- Acetylbenzoylmethane
- Benzoyl-aceton
- Benzoylacetone
- DTXSID3021803
- EINECS 202-286-4
- I3RUV8U115
- MFCD00008786
- NSC 4015
- NSC-83581
- RefChem:118788
- UNII-I3RUV8U115
- alpha-Acetylacetophenone
- benzoyl acetone
Structure identifiers
- Canonical SMILES
- CC(=O)CC(=O)c1ccccc1
- Isomeric SMILES
- CC(=O)CC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
- InChIKey
- CVBUKMMMRLOKQR-UHFFFAOYSA-N
- PubChem CID
- 7166
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-phenylbutane-1,3-dione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-phenylbutane-1,3-dione; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.