M37935

Sigma-Aldrich

2-Methyl-1,3-cyclohexanedione

97%

Linear Formula:
CH3C6H7(=O)2
CAS Number:
Molecular Weight:
126.15
Beilstein/REAXYS Number:
1281598
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

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.

Packaging

25, 100 g in poly bottle

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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