227331
2-Methoxycyclohexanone
97%
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About This Item
Fórmula lineal:
CH3OC6H9(=O)
Número de CAS:
Peso molecular:
128.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
97%
refractive index
n20/D 1.455 (lit.)
bp
185 °C/750 mmHg (lit.)
density
1.02 g/mL at 25 °C (lit.)
SMILES string
COC1CCCCC1=O
InChI
1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChI key
JYJURPHZXCLFDX-UHFFFAOYSA-N
General description
The conformational equilibrium of 2-methoxycyclohexanone was studied by infrared spectroscopy.
Application
2-Methoxycyclohexanone was used in the synthesis of 2-(carbomethoxy)cyclohex-2-en-1-one.
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
156.2 °F - closed cup
flash_point_c
69 °C - closed cup
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M P Freitas et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 59(6), 1177-1182 (2003-03-28)
The conformational equilibrium of 2-methoxycyclohexanone has been analyzed through infrared spectroscopy and theoretical calculations. These calculations indicate that six conformations may be present in the vapor phase, due to the rotation of the methoxy group around the O-C(2) bond, leading
O Hamed et al.
The Journal of organic chemistry, 66(1), 180-185 (2001-06-30)
Unsubstituted or alkyl-substituted cyclic ketones react with PdCl2 in methanol under a CO atmosphere to give mainly acyclic diesters along with some acyclic chloro-substituted monoesters. The monosubstituted cyclic ketones, 2-hydroxy- and 2-methoxycyclohexanone, do not give ring cleavage but rather produce
Qinglei Meng et al.
Nature communications, 8, 14190-14190 (2017-02-01)
Cyclohexanone and its derivatives are very important chemicals, which are currently produced mainly by oxidation of cyclohexane or alkylcyclohexane, hydrogenation of phenols, and alkylation of cyclohexanone. Here we report that bromide salt-modified Pd/C in H
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