ChemicalBook--->CAS DataBase List--->823-76-7

823-76-7

823-76-7 Structure

823-76-7 Structure
IdentificationMore
[Name]

1-Cyclohexylethan-1-one
[CAS]

823-76-7
[Synonyms]

1-Cyclohexylethan-1-one
acetylcyclohexane
CYCLOHEXYLETHANONE
CYCLOHEXYL METHYL KETONE
METHYLCYCLOHEXYL KETONE
1-Acetylcyclohexane
1-Cyclohexylethanone
1-cyclohexyl-ethanone
Acetophenone, hexahydro-
Cyclohexane, acetyl-
Ethanone, 1-cyclohexyl-
Ketone, cyclohexyl methyl
Acetylcyclohexane~Hexahydroacetophenone~Methyl cyclohexyl ketone
Acetylcyclohexane
Cyclohexyl methyl ketone
Hexahydroacetophenone
Hexahydroacetophenone
Cyclohexylmethylketone,95%
Cyclohexylmethylketon
Cyclohexyl methyl ketone, Hexahydroacetophenone
1-(Cyclohexane-1α-yl)ethanone
[EINECS(EC#)]

212-517-0
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00040418
[Molecular Weight]

126.2
[MOL File]

823-76-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-34°C
[Boiling point ]

181-183°C
[density ]

0,917 g/cm3
[refractive index ]

1.4520
[Fp ]

57°C
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Colourless
[Specific Gravity]

0.92
[Water Solubility ]

Not miscible or difficult to mix in water.
[BRN ]

507229
[InChIKey]

RIFKADJTWUGDOV-UHFFFAOYSA-N
[SMILES]

O=C(C1CCCCC1)C
[LogP]

1.930 (est)
[CAS DataBase Reference]

823-76-7(CAS DataBase Reference)
[NIST Chemistry Reference]

c-C6H11COCH3(823-76-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227-H315-H319-H335
[Precautionary statements ]

P210e-P261-P280a-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

1993
[WGK Germany ]

WGK 1
[RTECS ]

KM5638850
[Hazard Note ]

Irritant
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanone, cyclohexyl-4-morpholinyl--->1-Cyclohexylethanol-->Cyclohexylacetylene-->Vinylcyclohexane-->N-Methoxy-N-MethylcyclohexanecarboxaMide-->1-Acetyl-1-cyclohexene-->Cyclohexanecarboxylic acid
[Preparation Products]

Atovaquone-->Ethanone, 2-bromo-1-cyclohexyl- (9CI)-->2-Cyclohexylethanol-->Bicyclohexyl-->1-Methyl-1-cyclohexanecarboxylic acid-->2-Cyclohexylbut-3-yn-2-ol-->2-Propen-1-one, 1-cyclohexyl-3-(dimethylamino)-, (E)- (8CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cyclohexyl methyl ketone(823-76-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid, soluble in alcohol, essential oils and perfume materials. Peculiar camphoraceous-sweet odor with a certain amount of floral tones. Although this chemical would primarily lend itself to perfume compositions in the Pine, Wood, Herbaceous and other non-floral types, it has a similarity to the harsh-floral types such as Hyacinth, etc. and its sweetness is sometimes classified as “musky”.
[Uses]

It can be used to produce acetoxycyclohexane. It is also used as a pharmaceutical intermediate.
[Preparation]

1-Cyclohexylethan-1-one is synthesized from cyclohexene, which is then hydrogenated to produce acetylcyclohexane.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 108, p. 7314, 1986 DOI: 10.1021/ja00283a029
The Journal of Organic Chemistry, 52, p. 2576, 1987 DOI: 10.1021/jo00388a042
[Purification Methods]

Dissolve acetylcyclohexane in Et2O, shake it with H2O, dry, evaporate and fractionate it under reduced pressure. [UV: Mariella & Raube J Am Chem Soc 74 518 1952, enol content: Gero J Org Chem 19 1960 1954 .] The semicarbazone has m 174o and the 2,4-dinitrophenylhydrazone has m 139-140o [Theus & Schinz Helv Chim Acta 39 1290 1956].
Spectrum DetailBack Directory
[Spectrum Detail]

1-Cyclohexylethan-1-one(823-76-7)MS
1-Cyclohexylethan-1-one(823-76-7)1HNMR
1-Cyclohexylethan-1-one(823-76-7)13CNMR
1-Cyclohexylethan-1-one(823-76-7)IR1
1-Cyclohexylethan-1-one(823-76-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Cyclohexyl methyl ketone, 95%(823-76-7)
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