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20795-53-3

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20795-53-3 Structure

20795-53-3 Structure
IdentificationBack Directory
[Name]

3-PHENYL-CYCLOHEXANONE
[CAS]

20795-53-3
[Synonyms]

3-PHENYL-CYCLOHEXANONE
3-phenylcyclohexan-1-one
Cyclohexanone, 3-phenyl-
[Molecular Formula]

C12H14O
[MDL Number]

MFCD00209998
[MOL File]

20795-53-3.mol
[Molecular Weight]

174.24
Chemical PropertiesBack Directory
[Melting point ]

64 °C
[Boiling point ]

287-288 °C(Press: 736 Torr)
[density ]

1.042±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Oil
[color ]

Pale Yellow to Yellow
[InChI]

InChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
[InChIKey]

CJAUDSQXFVZPTO-UHFFFAOYSA-N
[SMILES]

C1(=O)CCCC(C2=CC=CC=C2)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P302+P352-P305+P351+P338
[HazardClass ]

IRRITANT
[HS Code ]

2914390090
Hazard InformationBack Directory
[Uses]

3-Phenylcyclohexanone is used in preparation of cyclic Ketone derivatives via ring expansion reaction of beta-selenyl cyclic Ketone derivatives.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 51, p. 4953, 1986 DOI: 10.1021/jo00375a037
Tetrahedron Letters, 42, p. 781, 2001 DOI: 10.1016/S0040-4039(00)02176-6
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYL-CYCLOHEXANONE(20795-53-3)1HNMR
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