Compound: 1-Phenyl-1-propanone
SMILES: O=C(c1ccccc1)CC
InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Synonyms: 1-Phenyl-1-propanone, RefChem:1056285, Propiophenone, 93-55-0, 1-phenylpropan-1-one, Ethyl phenyl ketone, Propionylbenzene, PHENYL ETHYL KETONE, 1-Propanone, 1-phenyl-, Ketone, ethyl phenyl, USAF EK-1235, Propionphenone, 1-Phenyl-propan-1-one, FEMA No. 3469, MFCD00009309, NSC 16937, 2-methyl-acetophenone, E599A8OKQH, DTXSID2044470, NSC-16937, 2-Methyl acetophenone, HSDB 1177, EINECS 202-257-6, UNII-E599A8OKQH, BRN 0606215, propiophenon, Benzoylethane, phenylethylketone, AI3-00951, FEMA 3469, 1-phenylpropanone, 3szb, methyl-acetophenone, Propiophenone, 99%, Bupropion Impurity 51, Propiophenone, >=99%, PROPIOPHENONE [MI], EC 202-257-6, WLN: 2VR, PROPIOPHENONE [FHFI], SCHEMBL76464, 4-07-00-00680 (Beilstein Handbook Reference), SCHEMBL301139, SCHEMBL301750, SCHEMBL318818, SCHEMBL687760, SCHEMBL989057, SCHEMBL989228, PROPIOPHENONE [WHO-DD], CHEMBL193446, SCHEMBL3273894, DTXCID0024470, CHEBI:425902, Propiophenone, analytical standard, PHENYL ETHYL KETONE [HSDB], ECA41923, EFA84887, NLA40096, NSC16937, SNA61099, Tox21_302025, BBL027754, SBB058853, STL282500, AKOS000119030, EBC-612972, CAS-93-55-0, NCGC00255954-01, Propiophenone, purum, >=99.0% (GC), FP167274, VS-08588, 1-PROPANONE,1-PHENYL PROPIOPHENONE, NS00009925, P0519, ST50213456, 1-PROPANONE,1-PHENYL   PROPIOPHENONE, EN300-19183, Propiophenone(Discontinued,See C4X-120351), Propiophenone, Vetec(TM) reagent grade, 99%, F094675, Q415446, F0001-2238, Z104473068, InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H
Theoretical properties:
molecular_formula: C9H10O
molecular_weight: 134.17 g/mol
exact_mass: 134.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WATER-WHITE TO LIGHT AMBER LIQ
color: WATER-WHITE TO LIGHT AMBER LIQ
odor: STRONG, PERSISTENT, AGREEABLE, FLOWERY ODOR
boiling_point: 218.0 °C @ 760 MM HG
melting_point: 21 °C
density: 1.0105 @ 20 °C/4 °C, LIQ
solubility: MISCIBLE WITH METHANOL, ANHYD ETHANOL, ETHER, BENZENE, TOLUENE; INSOL IN WATER, GLYCEROL, ETHYLENE & PROPYLENE GLYCOL
vapor_pressure: 0.17 [mmHg]
Descriptions:
pubchem: Propiophenone is an aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl. It has a role as a fragrance.
chebi: An aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl.
chembl: PROPIOPHENONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phenylacetone, also known as phenyl-2-propanone,  is an organic compound with the chemical formula C6H5CH2COCH3. It is a colorless oil that is soluble in organic solvents. It is a mono-substituted benzene derivative, consisting of an acetone attached to a phenyl group. As such, its systematic IUPAC name is 1-phenyl-2-propanone.
This substance is used in the manufacture of methamphetamine and amphetamine, where it is commonly known as P2P. Due to illicit drug labs using phenylacetone to make amphetamines, phenylacetone was declared a schedule II controlled substance in the United States in 1980. In humans, phenylacetone occurs as a metabolite of amphetamine and methamphetamine via FMO3-mediated oxidative deamination.