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242039

Sigma-Aldrich

1,2-Diacetylbenzene

99%

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About This Item

Fórmula lineal:
C6H4(COCH3)2
Número de CAS:
704-00-7
Peso molecular:
162.19
Beilstein/REAXYS Number:
1862907
EC Number:
211-877-6
MDL number:
MFCD00008733
UNSPSC Code:
12352100
PubChem Substance ID:
24854529
NACRES:
NA.22

Quality Level

200

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)

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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Categorías relacionadas

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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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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
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
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
Desire Tshala-Katumbay et al.
Toxicological sciences : an official journal of the Society of Toxicology, 107(2), 482-489 (2008-11-27)
Neuroprotein changes in the spinal cord of rodents with aliphatic gamma-diketone axonopathy induced by 2,5-hexanedione (2,5-HD) are compared with those reported previously in aromatic gamma-diketone-like axonopathy induced by 1,2-diacetylbenzene (1,2-DAB). Sprague-Dawley rats were treated intraperitoneally with 500 mg/kg/day 2,5-HD, equimolar
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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