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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-773-9
Beilstein/REAXYS Number:
1281598
MDL number:
Assay:
97%
Product Name
2-Methyl-1,3-cyclohexanedione, 97%
InChI key
VSGJHHIAMHUZKF-UHFFFAOYSA-N
InChI
1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
SMILES string
CC1C(=O)CCCC1=O
assay
97%
mp
206-208 °C (lit.)
Quality Level
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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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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