341258
4,4-Dimethyl-1,3-cyclohexanedione
98%
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About This Item
Linear Formula:
(CH3)2C6H6(=O)2
CAS Number:
Molecular Weight:
140.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Product Name
4,4-Dimethyl-1,3-cyclohexanedione, 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
Related Categories
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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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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