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About This Item
Linear Formula:
C6H4(COCH3)2
CAS Number:
Molecular Weight:
162.19
Beilstein:
1862907
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
solid
bp
110 °C/0.1 mmHg (lit.)
mp
39-41 °C (lit.)
solubility
dichloromethane: soluble 50 mg/mL, clear, colorless to yellow
fluorescence
λex 355 nm; λem 455 nm (Amine adducts)
functional group
ketone
SMILES string
CC(=O)c1ccccc1C(C)=O
InChI
1S/C10H10O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H,1-2H3
InChI key
LVQFKRXRTXCQCZ-UHFFFAOYSA-N
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General description
1,2-Diacetylbenzene, an aromatic hydrocarbon, is a protein-reactive γ-diketone metabolite of the neurotoxic solvent 1,2-diethylbenzene.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Min Kyeong Kim et al.
Journal of toxicology and environmental health. Part A, 70(15-16), 1336-1343 (2007-07-27)
Organic solvents are ubiquitous in industrial and household surroundings, and thus individuals are easily exposed. 1,2-Diethylbenzene (DEB) is one of organic solvents contained in gasoline or jet fuels. DEB is absorbed by dermal or inhalation routes, metabolized by cytochrome P-450
Min-Sun Kim et al.
Toxicology, 243(1-2), 216-223 (2007-12-08)
Environmental substances or metabolites induce neuronal damage through oxidative stress. Environmental organic solvent metabolite, 1,2-diacetylbenzene (1,2-DAB), treated rats develop limb weakness with neuropathological damage in both the central and peripheral nervous systems. In this experiment, we examined the relevance of
Min-Sun Kim et al.
Chemico-biological interactions, 194(2-3), 139-147 (2011-10-25)
1,2-Diacetylbenzene (DAB) is a neurotoxic minor metabolite of 1,2-diethylbenzene or naphthalene reaction product with OH radical. DAB causes central and peripheral neuropathies that lead to motor neuronal deficits. However, the potent effects and molecular mechanisms of DAB on neural progenitor
D D Tshala-Katumbay et al.
Acta neuropathologica, 109(4), 405-410 (2005-03-11)
The aromatic gamma-diketone 1,2-diacetylbenzene (1,2-DAB), the putative active metabolite of the organic solvent 1,2-diethylbenzene, forms blue-colored polymeric protein adducts and induces the formation of amyotrophic lateral sclerosis (ALS)-like giant, intraspinal neurofilamentous axonal swellings in Sprague Dawley rats. The pathogenetic mechanism
Chang-Guo Zhan et al.
Journal of the American Chemical Society, 124(11), 2744-2752 (2002-03-14)
We report the first computational study of the chromophores responsible for the chromogenic effects of aromatic neurotoxicants containing a 1,2-diacetyl moiety in their oxidation metabolites. A series of ab initio electronic structure calculations was performed on two representative aromatic compounds
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