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M37935

Sigma-Aldrich

2-Methyl-1,3-cyclohexanedione

97%

Synonym(s):

1-Methyl-2,6-cyclohexanedione

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About This Item

Linear Formula:
CH3C6H7(=O)2
CAS Number:
1193-55-1
Molecular Weight:
126.15
Beilstein:
1281598
EC Number:
214-773-9
MDL number:
MFCD00001587
UNSPSC Code:
12352100
PubChem Substance ID:
24896876
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

206-208 °C (lit.)

SMILES string

CC1C(=O)CCCC1=O

InChI

1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3

InChI key

VSGJHHIAMHUZKF-UHFFFAOYSA-N

Gene Information

human ... ACHE(43) , BCHE(590) , CES1(1066)

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Application

An important starting material, exemplified in a formal synthesis of acorone.

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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The Journal of Organic Chemistry, 58, 2972-2972 (1993)
Randy M Wadkins et al.
Journal of medicinal chemistry, 48(8), 2906-2915 (2005-04-15)
Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of selective inhibitors of these proteins has proved problematic. Using Telik's target-related affinity profiling (TRAP)

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