ChemicalBook--->CAS DataBase List--->1073-13-8

1073-13-8

1073-13-8 Structure

1073-13-8 Structure
IdentificationMore
[Name]

4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE
[CAS]

1073-13-8
[Synonyms]

4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE
4,4-DIMETHYL-2-CYCLOHEXENE-1-ONE
4,4-Dimethyl-2-cyclohexenone
4,4-Dimethylcyclohexenone
4,4-Dimethylcyclohex-1-en-2-one
4,4-Dimethylcyclohex-2-enone
4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE, 97+%
4,4-Dimethylcyclohex-2-en-1-one
4,4-Dimethyl-2-cyclohexenone, 97+%
3,3-Dimethylcyclohexene-6-one
6,6-Dimethylcyclohexene-3-one
[Molecular Formula]

C8H12O
[MDL Number]

MFCD00009695
[Molecular Weight]

124.18
[MOL File]

1073-13-8.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR DARK BROWN LIQUID
[Boiling point ]

72-73.5 °C20 mm Hg(lit.)
[density ]

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

n20/D 1.473(lit.)
[Fp ]

148 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[color ]

Clear dark brown
[Specific Gravity]

0.944
[Sensitive ]

Air Sensitive
[λmax]

318nm(EtOH)(lit.)
[InChI]

InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
[InChIKey]

HAUNPYVLVAIUOO-UHFFFAOYSA-N
[SMILES]

C1(=O)CCC(C)(C)C=C1
[LogP]

1.480 (est)
[CAS DataBase Reference]

1073-13-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

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

S36/37/39:Wear suitable protective clothing, 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
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4,4-Dimethylcyclohexan-1-ol-->2-Cyclohexen-1-ol, 4,4-dimethyl--->4 4-Dimethylcyclohexanone 97-->Cyclohexanone, 3-iodo-4,4-dimethyl--->4,4,6-trimethylcyclohex-2-en-1-one-->Methyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate-->1-broMo-2-(broMoMethyl)-4,4-diMethylcyclohex-1-ene
Hazard InformationBack Directory
[Chemical Properties]

CLEAR DARK BROWN LIQUID
[Synthesis Reference(s)]

Journal of the American Chemical Society, 104, p. 4990, 1982 DOI: 10.1021/ja00382a061
The Journal of Organic Chemistry, 45, p. 5399, 1980 DOI: 10.1021/jo01314a048
Spectrum DetailBack Directory
[Spectrum Detail]

4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE(1073-13-8)1HNMR
4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE(1073-13-8)13CNMR
4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE(1073-13-8)IR1
4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE(1073-13-8)Raman
4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE(1073-13-8)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4-Dimethyl-2-cyclohexen-1-one, 97%(1073-13-8)
[Alfa Aesar]

4,4-Dimethyl-2-cyclohexen-1-one, 97+%(1073-13-8)
[Sigma Aldrich]

1073-13-8(sigmaaldrich)
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