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ChemicalBook--->CAS DataBase List--->94-66-6

94-66-6

94-66-6 Structure

94-66-6 Structure
IdentificationMore
[Name]

2-Allylcyclohexanone
[CAS]

94-66-6
[Synonyms]

2-(2-PROPENYL)CYCLOHEXANONE
2-ALLYLCYCLOHEXANONE
O-ALLYLCYCLOHEXANONE
TIMTEC-BB SBB006544
2-(2-propenyl)-cyclohexanon
Cyclohexanone, 2-allyl-
2-allylcyclohexan-1-one
2-Allylcyclohexanone, 97 %
[EINECS(EC#)]

202-352-2
[Molecular Formula]

C9H14O
[MDL Number]

MFCD00043548
[Molecular Weight]

138.21
[MOL File]

94-66-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[Boiling point ]

94 °C/23 mmHg (lit.)
[density ]

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

n20/D 1.469(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

0.927
[Water Solubility ]

Insoluble
[CAS DataBase Reference]

94-66-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Cyclohexanone, 2-(2-propenyl)-(94-66-6)
[EPA Substance Registry System]

94-66-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 3077
[WGK Germany ]

3
[HS Code ]

29142990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium hydroxide-->Benzotrifluoride-->3-propan-2-yloxyprop-1-ene-->Carbonic acid, 1-cyclohexen-1-yl 2-propen-1-yl ester-->Stannane, tributyl(1-cyclohexen-1-yloxy)--->Cyclohexane, (2-propen-1-yloxy)--->ALLYL N-PROPYL ETHER-->Allyl 2-Oxocyclohexanecarboxylate-->N-(1-Cyclohexen-1-yl)morpholine-->1-Pyrrolidino-1-cyclohexene-->Allyl Benzyl Ether-->ALLYL ETHYL ETHER-->ALLYL METHYL ETHER-->Allyl acetate-->Allyl phenyl ether-->Allyl bromide
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid
[Uses]

2-Allylcyclohexanone may be used in the synthesis of the following:
  • bicyclo[3.3.1]non-2-en-9-one
  • R-(-)-epilachnene, an antipode of the defensive droplets from the Mexican bean beetle, Epilachna varivestis
[Synthesis Reference(s)]

Chemistry Letters, 13, p. 1721, 1984
Journal of the American Chemical Society, 85, p. 207, 1963 DOI: 10.1021/ja00885a021
The Journal of Organic Chemistry, 51, p. 421, 1986 DOI: 10.1021/jo00354a001
[General Description]

2-Allylcyclohexanone is a β,γ-unsaturated ketone. Selective oxidation of 2-allylcyclohexanone by benzonitrile-hydrogen peroxide has been reported. Asymmetric synthesis of 2-alkylcyclohexanones by alkylation of cyclohexanone enamines (III) of L-proline ester derivatives has been described. Oxidation of 2-allylcyclohexanone by 90% hydrogen peroxide catalyzed by arsonated polystyrene has been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Allylcyclohexanone(94-66-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Allylcyclohexanone, 97%(94-66-6)
[Sigma Aldrich]

94-66-6(sigmaaldrich)
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