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461229

Sigma-Aldrich

2-Benzoylcyclohexanone

98%

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About This Item

Linear Formula:
C6H5COC6H9(=O)
CAS Number:
3580-38-9
Molecular Weight:
202.25
MDL number:
MFCD00524769
UNSPSC Code:
12352100
PubChem Substance ID:
24869831
NACRES:
NA.22

Assay

98%

form

solid

mp

88-91 °C (lit.)

functional group

ketone
phenyl

SMILES string

O=C1CCCCC1C(=O)c2ccccc2

InChI

1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChI key

YTVQIZRDLKWECQ-UHFFFAOYSA-N

General description

2-Benzoylcyclohexanone can be prepared from the reaction between silyl enol ether of cyclohexanone and benzoyl fluoride.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBH6310V
MKBF1636V
15916EA
15315KQ
14508MQ

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The regioselective preparation of 1, 3-diketones within a micro reactor.
Wiles C, et al.
Chemical Communications (Cambridge, England), 10, 1034-1035 (2002)
Gilbert E Tumambac et al.
Chirality, 17(4), 171-176 (2005-04-13)
The kinetics of the racemization of 2-benzoylcyclohexanone 1 in hexanes, ethanol, and mixtures thereof have been investigated by time dependence of enantiomeric purity using enantioselective HPLC. In pure hexanes and ethanol, the racemization half-lives were determined as 552 and 23.8

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