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M37935

Sigma-Aldrich

2-Methyl-1,3-cyclohexanedione

97%

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Synonym(s):
1-Methyl-2,6-cyclohexanedione
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

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

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1 of 4

This Item
C101400C101605279951
2-Methyl-1,3-cyclohexanedione 97%

M37935

2-Methyl-1,3-cyclohexanedione

1,2-Cyclohexanedione 97%

C101400

1,2-Cyclohexanedione

1,3-Cyclohexanedione 97%

C101605

1,3-Cyclohexanedione

5-Methyl-1,3-cyclohexanedione 98%

279951

5-Methyl-1,3-cyclohexanedione

mp

206-208 °C (lit.)

mp

34-38 °C (lit.)

mp

101-105 °C (lit.)

mp

126-130 °C (lit.)

Gene Information

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

Gene Information

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

Gene Information

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

Gene Information

-

Application

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

Storage Class

11 - Combustible Solids

wgk_germany

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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