M37935
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:
Molecular Weight:
126.15
Beilstein:
1281598
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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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Related Categories
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
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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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