242039

Sigma-Aldrich

1,2-Diacetylbenzene

99%

Linear Formula:
C6H4(COCH3)2
CAS Number:
Molecular Weight:
162.19
Beilstein/REAXYS Number:
1862907
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

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)

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

100, 500 mg in glass bottle
Bottomless glass bottle. Contents are inside inserted fused cone.

storage_class_code

13 - Non Combustible Solids

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

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...
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...
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...
Mohammad I Sabri et al.
Neurochemical research, 32(12), 2152-2159 (2007-06-20)
The aromatic hydrocarbon 1,2-diacetylbenzene (1,2-DAB) is a protein-reactive gamma-diketone metabolite of the neurotoxic solvent 1,2-diethylbenzene (1,2-DEB). The effect of neurotoxic 1,2-DAB and its non-neurotoxic isomer 1,3-DAB has been studied on motor proteins and cytoskeletal proteins of rat spinal cord (SC)....

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