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Merck
CN

341258

4,4-二甲基-1,3-环己二酮

98%

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线性分子式:
(CH3)2C6H6(=O)2
化学文摘社编号:
分子量:
140.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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产品名称

4,4-二甲基-1,3-环己二酮, 98%

InChI

1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3

SMILES string

CC1(C)CCC(=O)CC1=O

InChI key

PLGPBTCNKJQJHQ-UHFFFAOYSA-N

assay

98%

bp

130 °C/7 mmHg (lit.)

mp

103-105 °C (lit.)

functional group

ketone

Quality Level

Application

4,4-Dimethyl-1,3-cyclohexanedione was employed in the synthesis of series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones via Biginelli reaction.

General description

Standard molar enthalpy of formation of 4,4-dimethyl-1,3-cyclohexanedione in the gaseous state at 298.15K has been determined.

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Thermochemical and theoretical studies on cyclohexanediones.
Pilcher G, et al.
The Journal of Physical Chemistry, 97(1), 243-247 (1993)
S Saraç et al.
Die Pharmazie, 56(4), 298-302 (2001-05-08)
In this study, a series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones were synthesized by condensing urea with 4,4-dimethyl-1,3-cyclohexanedione and appropriate aromatic aldehydes according to the Biginelli reaction. The structures of the compounds were characterized by spectroscopic methods. The racemic compounds were resolved into

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