ChemicalBook--->CAS DataBase List--->712-50-5

712-50-5

712-50-5 Structure

712-50-5 Structure
IdentificationMore
[Name]

Benzoylcyclohexane
[CAS]

712-50-5
[Synonyms]

BENZOYLCYCLOHEXANE
CYCLOHEXYL PHENYL KETONE
PHENYLCYCLOHEXYL KETONE
TIMTEC-BB SBB007832
1,2,3,4,5,6-Hexahydrobenzophenone
Benzophenone, 1,2,3,4,5,6-hexahydro-
Benzoylcyclohexan
Cyclohexyl(phenyl)methanone
cyclohexylphenyl-methanon
Cyclohexyl-phenyl-methanone
Ketone, cyclohexyl phenyl
ketone,cyclohexylphenyl
Methanone, cyclohexylphenyl-
Methanone,cyclohexylphenyl-
USAF KF-3
usafkf-3
Benzoylcyclohexane~1,2,3,4,5,6-Hexahydrobenzophenone
Cyclohexyl Phenyll Ketone
1,2,3,4,5,6-Hexahydroxybenzophenone
Cyclohexylphenylketone,98%
[EINECS(EC#)]

211-923-5
[Molecular Formula]

C13H16O
[MDL Number]

MFCD00001467
[Molecular Weight]

188.27
[MOL File]

712-50-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to yellowish crystalline solid
[Melting point ]

55-57 °C (lit.)
[Boiling point ]

165-168°C 20mm
[density ]

0.9671 (rough estimate)
[refractive index ]

1.5435 (estimate)
[Fp ]

>230 °F
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[color ]

Light Brown to Brown
[Water Solubility ]

18.2mg/L at 20℃
[BRN ]

2046712
[InChI]

1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
[InChIKey]

BMFYCFSWWDXEPB-UHFFFAOYSA-N
[SMILES]

O=C(C1CCCCC1)c2ccccc2
[LogP]

3.7 at 20℃
[CAS DataBase Reference]

712-50-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenyl cyclohexyl ketone(712-50-5)
[EPA Substance Registry System]

712-50-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

OB1760000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29143900
[Storage Class]

11 - Combustible Solids
[Safety Profile]

Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzene-->Cyclohexanecarboxylic acid chloride-->Trihexyphenidyl impurity 5-->Cyclohexyl(phenyl)methanol-->Sodium tetraphenylboron-->Iodocyclohexane-->Benzoylformic acid-->Phenylboronic acid-->Iodobenzene-->Cyclohexanecarbonitrile-->Cyclohexene-->Cyclohexanecarboxaldehyde-->Cyclohexanecarboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Phenyl cyclohexyl ketone(712-50-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to yellowish crystalline solid
[Uses]

Cyclohexyl phenyl ketone was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 107, p. 4792, 1985 DOI: 10.1021/ja00302a039
The Journal of Organic Chemistry, 58, p. 2483, 1993 DOI: 10.1021/jo00061a023
Tetrahedron Letters, 28, p. 6229, 1987 DOI: 10.1016/S0040-4039(00)61854-3
[Biochem/physiol Actions]

Cyclohexyl phenyl ketone induces photohaemolysis after exposure to ultraviolet A-rich irradiation in human erythrocytes.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoylcyclohexane(712-50-5)MS
Benzoylcyclohexane(712-50-5)1HNMR
Benzoylcyclohexane(712-50-5)13CNMR
Benzoylcyclohexane(712-50-5)IR1
Benzoylcyclohexane(712-50-5)IR2
Benzoylcyclohexane(712-50-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Cyclohexyl phenyl ketone, 98%(712-50-5)
[Alfa Aesar]

Cyclohexyl phenyl ketone, 98%(712-50-5)
[Sigma Aldrich]

712-50-5(sigmaaldrich)
[TCI AMERICA]

Cyclohexyl Phenyl Ketone,>98.0%(GC)(712-50-5)
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