242039
1,2-Diacetylbenzene
99%
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About This Item
Linear Formula:
C6H4(COCH3)2
CAS Number:
Molecular Weight:
162.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-877-6
Beilstein/REAXYS Number:
1862907
MDL number:
Assay:
99%
Form:
solid
InChI key
LVQFKRXRTXCQCZ-UHFFFAOYSA-N
InChI
1S/C10H10O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H,1-2H3
SMILES string
CC(=O)c1ccccc1C(C)=O
assay
99%
form
solid
bp
110 °C/0.1 mmHg (lit.)
Quality Level
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
Related Categories
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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Xin-Jun Yu et al.
Molecules (Basel, Switzerland), 25(6) (2020-03-18)
In the present study, a pyridoxal-5'-phosphate (PLP)-dependent L-aspartate-α-decarboxylase from Tribolium castaneum (TcPanD) was selected for protein engineering to efficiently produce β-alanine. A mutant TcPanD-R98H/K305S with a 2.45-fold higher activity than the wide type was selected through error-prone PCR, site-saturation mutagenesis
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).
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
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
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