ChemicalBook--->CAS DataBase List--->4894-75-1

4894-75-1

4894-75-1 Structure

4894-75-1 Structure
IdentificationMore
[Name]

4-Phenylcyclohexanone
[CAS]

4894-75-1
[Synonyms]

4-PHENYLCYCLOHEXANONE
TIMTEC-BB SBB008578
4-PHENYLCYCLOHEXANONE, 98+%
Cyclohexanone, 4-phenyl-
4-Phenylcyclohexanone 98%
4-Phenyl-1-cyclohexanone
4-Phenylcyclohexane-1-one
[EINECS(EC#)]

225-517-0
[Molecular Formula]

C12H14O
[MDL Number]

MFCD00001641
[Molecular Weight]

174.24
[MOL File]

4894-75-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[Melting point ]

73-77 °C (lit.)
[Boiling point ]

158-160°C 16mm
[density ]

0.97 g/cm3 (25℃)
[refractive index ]

1.5363 (estimate)
[Fp ]

100°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Crystalline Powder
[color ]

White to off-white
[Water Solubility ]

slightly soluble
[BRN ]

2045904
[InChI]

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

YKAYMASDSHFOGI-UHFFFAOYSA-N
[SMILES]

C1(=O)CCC(C2=CC=CC=C2)CC1
[CAS DataBase Reference]

4894-75-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29143900
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Phenylcyclohexanone(4894-75-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Uses]

4-Phenylcyclohexanone is used in the synthesis of CCR2 antagonists for the treatment of rheumatoid arthritis, atherosclerosis and other disease states. Also used in the preparation of coumarins via dehydrogenation and Heck coupling reactions.
[General Description]

4-Phenylcyclohexanone undergoes Ruthenium-catalyzed reaction with tributylamine to yield 2-butyl-4-phenylcyclohexanone and 2,6-dibutyl-4-phenylcyclohexanone. Wittig reaction of 4-phenylcyclohexanone with (carbethoxymethylene)triphenylphosphorane under microwave irradiation has been investigated.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Phenylcyclohexanone(4894-75-1)MS
4-Phenylcyclohexanone(4894-75-1)1HNMR
4-Phenylcyclohexanone(4894-75-1)13CNMR
4-Phenylcyclohexanone(4894-75-1)IR1
4-Phenylcyclohexanone(4894-75-1)IR2
4-Phenylcyclohexanone(4894-75-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Phenylcyclohexanone, 98+%(4894-75-1)
[Alfa Aesar]

4-Phenylcyclohexanone, 98+%(4894-75-1)
[Sigma Aldrich]

4894-75-1(sigmaaldrich)
[TCI AMERICA]

4-Phenylcyclohexanone,>97.0%(GC)(4894-75-1)
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