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M37935

2-Methyl-1,3-cyclohexanedione

Name: 2-Methyl-1,3-cyclohexanedione
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24896876

EC Number:

214-773-9

Beilstein/REAXYS Number:

1281598

MDL number:

MFCD00001587

Assay:

97%

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Properties

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)

Description

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)

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

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)

Global Trade Item Number

SKU	GTIN
M37935-100G	04061838355034
M37935-25G	04061834050650