1-Methoxycyclohexene

Basic Information

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CAS Number

931-57-7

Molecular Formula

C7H12O

Molecular Weight

112.17 g/mol

Basic Physical Properties

SMILES

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COC1=CCCCC1

InChI

InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

LogP

2.0907

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

94.6

Synonyms & References

English

Cyclohexene, 1-methoxy-
1-Methoxy-1-cyclohexene
1-Methoxycyclohexene
1-Methoxycyclohexene Discontinued See M262395
1-Cyclohexen-1-ylmethylether
1-methoxy-cyclohexen
2,3,4,5-Tetrahydroanisole
cyclohexanone enol methyl ether
Cyclohexanone methyl enol ether
Cyclohexene,1-methoxy
cyclohexenyl methyl ether
Ether,1-cyclohexen-1-ylmethyl
methoxycyclohexene
methyl 1-cyclohexenyl ether
1-Methoxycyclohexene (ACI)
Ether, 1-cyclohexen-1-yl methyl (6CI, 7CI, 8CI)
1-Cyclohexen-1-yl methyl ether
1-methoxycyclohex-1-ene
1-methoxy-cyclohexene
NS00122132
SCHEMBL46404
MFCD00060822
DTXCID40161760
D87534
DTXSID70239269
EN300-93083
CHEBI:230282
931-57-7
DB-023685
Discontinued See M262395
AKOS006272959

MDL Number

MFCD00060822

Customs Code

2909209000

FAQ

What are the physical and chemical properties of 1-Methoxycyclohexene (CAS: 931-57-7)?

1-Methoxycyclohexene (CAS: 931-57-7) is a colorless, volatile liquid with a characteristic odor. It has a molecular weight of approximately 104.17 g/mol and a boiling point of 104-105°C. The compound is slightly soluble in water but miscible with a variety of organic solvents. It is prone to oxidation and can react with strong acids or bases, making it reactive under certain conditions.

How is 1-Methoxycyclohexene (CAS: 931-57-7) typically synthesized?

1-Methoxycyclohexene can be synthesized via the bromination of cyclohexene followed by methanolysis. This process involves the reaction of cyclohexene with bromine to form bromocyclohexene, which is then treated with methanol in the presence of a base such as sodium methoxide to produce the methoxycyclohexene. The yield and selectivity of the reaction can be influenced by the choice of catalyst and reaction conditions.

What industries use 1-Methoxycyclohexene (CAS: 931-57-7)?

1-Methoxycyclohexene (CAS: 931-57-7) finds applications in the pharmaceutical industry as a precursor for the synthesis of certain drug molecules. It is also used in the production of fragrances and other flavor compounds, and it has potential uses in the polymer and sensor industries due to its chemical reactivity and volatility.

What precautions should be taken when handling 1-Methoxycyclohexene (CAS: 931-57-7)?

When handling 1-Methoxycyclohexene (CAS: 931-57-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, well-ventilated area away from direct sunlight and heat sources. Fume hoods should be used when performing operations that could release the compound into the air. In case of a spill, use appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.