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1007-32-5

1007-32-5 Structure

1007-32-5 Structure
IdentificationMore
[Name]

1-PHENYL-2-BUTANONE
[CAS]

1007-32-5
[Synonyms]

1-PHENYL-2-BUTANONE
BENZYL ETHYL KETONE
ETHYL BENZYL KETONE
2-Butanone, 1-phenyl-
2-Oxo-1-phenylbutane
Banzylethylketone
1-phenylbutan-2-one
1-PHENYL-2-BUTANONE 98%
1-Phenylbutane-2-one
[EINECS(EC#)]

213-752-1
[Molecular Formula]

C10H12O
[MDL Number]

MFCD00009315
[Molecular Weight]

148.2
[MOL File]

1007-32-5.mol
Chemical PropertiesBack Directory
[Melting point ]

72-73 °C
[Boiling point ]

109-112 °C/15 mmHg (lit.)
[density ]

0.998 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.512(lit.)
[Fp ]

195 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Clear colorless
[BRN ]

1100022
[InChI]

1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
[InChIKey]

GKDLTXYXODKDEA-UHFFFAOYSA-N
[SMILES]

CCC(=O)Cc1ccccc1
[LogP]

2.279 (est)
[CAS DataBase Reference]

1007-32-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[WGK Germany ]

3
[HS Code ]

29143990
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thorium dioxide
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow oily liquid
[Uses]

1-Phenyl-2-butanone was used in the preparation of 1-bromo-1-phenyl-2-butanone. It was used as solute to evaluate the hydroxyl group-solvent and carbonyl group-solvent specific interactions in acetonitrile/water mixtures using the alltima C18 stationary phase by HPLC.
[Uses]

1-Phenyl-2-butanone is a building block that has been shown to have sedative activities in mice.
[Synthesis Reference(s)]

Tetrahedron Letters, 23, p. 4167, 1982 DOI: 10.1016/S0040-4039(00)88377-X
[Purification Methods]

Purify the ketone by fractionation using an efficient column. It can be converted into the oxime which is distilled, b 117-118o/2mm, 145-146o/15mm, d 25 1.036, n D 1.5363; decompose the oxime, and the ketone is redistilled. It can also be purified via the semicarbazone which has m 154-155o. [Meyers et al. J Am Chem Soc 77 5655 1955, Hass et al. J Org Chem 15 8 1950, Beilstein 7 IV 712.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-PHENYL-2-BUTANONE(1007-32-5)MS
1-PHENYL-2-BUTANONE(1007-32-5)1HNMR
1-PHENYL-2-BUTANONE(1007-32-5)13CNMR
1-PHENYL-2-BUTANONE(1007-32-5)IR1
1-PHENYL-2-BUTANONE(1007-32-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1007-32-5(sigmaaldrich)
[TCI AMERICA]

1-Phenyl-2-butanone,>95.0%(GC)(1007-32-5)
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