CAS 1321-48-8 Hydroxypropiophenone (HCID 569605)

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Basic information

CAS: 1321-48-8
Standard SMILES: O=C(CCO)c1ccccc1
InChIKey: PQCFUZMQHVIOSM-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: Hydroxypropiophenone
IUPAC: 3-hydroxy-1-phenylpropan-1-one
English name: 3'-HYDROXYPROPIOPHENONE
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

Hydroxypropiophenone1321-48-81-Propanone, 1-phenyl-, monohydroxy deriv.RefChem:9231633-Hydroxy-1-phenylpropan-1-one3-Hydroxypropiophenone5650-41-91-Propanone, 3-hydroxy-1-phenyl-2-BENZOYLETHANOLMFCD00135861V3OOP8T819UNII-V3OOP8T819

Show more names

1-Propanone, 3-hydroxy-1-pheny1-Propanone, 3-hydroxy-1-phenyl

m-hydroxypropiophenonehydroxymethylacetophenone3-phenyl-3-oxopropanol1-phenylpropan-3-ol-1-oneSCHEMBL79657SCHEMBL96006SCHEMBL28097783DTXSID10927537

Database identifiers

CAS: 1321-48-8、5650-41-9
PubChem CID: 569605
DTXSID: DTXSID10927537
UNII: V3OOP8T819
Nikkaji: J461.025C

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 24 °C · 24°C
Boiling point: 231.72 °C · 231.72°C (rough estimate)
Density: 1.1078 · 1.1078
refractive index: 1.545 · 1.5450 (estimate)
pka: 14.37 · 14.37±0.10(Predicted)
FDA UNII: 3 OOP8T819 · V3OOP8T819
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338