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1,2-Diethylbenzene

CAS No.:
135-01-3
Catalog Number:
AG003DEB
Molecular Formula:
C10H14
Molecular Weight:
134.2182
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Product Description
Catalog Number:
AG003DEB
Chemical Name:
1,2-Diethylbenzene
CAS Number:
135-01-3
Molecular Formula:
C10H14
Molecular Weight:
134.2182
MDL Number:
MFCD00009258
IUPAC Name:
1,2-diethylbenzene
InChI:
InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
InChI Key:
KVNYFPKFSJIPBJ-UHFFFAOYSA-N
SMILES:
CCc1ccccc1CC
EC Number:
205-170-1
UNII:
25HOX6T1LU
RTECS Number:
CZ5600000
UN Number:
2049
Properties
Complexity:
74  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.11g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.222g/mol
Monoisotopic Mass:
134.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Organic solvent metabolite, 1,2-diacetylbenzene, impairs neural progenitor cells and hippocampal neurogenesis. Chemico-biological interactions 20111115
Prevalence of ocular, respiratory and cutaneous symptoms in indoor swimming pool workers and exposure to disinfection by-products (DBPs). International journal of environmental research and public health 20100401
Probing mechanisms of axonopathy. Part II: Protein targets of 2,5-hexanedione, the neurotoxic metabolite of the aliphatic solvent n-hexane. Toxicological sciences : an official journal of the Society of Toxicology 20090201
Bio-distribution study of 1,2-diethylbenzene and its main metabolites by whole-body autoradiography and tissue homogenates. Archives of toxicology 20080901
Probing mechanisms of axonopathy. Part I: Protein targets of 1,2-diacetylbenzene, the neurotoxic metabolite of aromatic solvent 1,2-diethylbenzene. Toxicological sciences : an official journal of the Society of Toxicology 20080901
Nanoporous organosilicas as preconcentration materials for the electrochemical detection of trinitrotoluene. Analytical chemistry 20080615
Axonopathy-inducing 1,2-diacetylbenzene forms adducts with motor and cytoskeletal proteins required for axonal transport. Neurochemical research 20071201
Using supercritical fluid chromatography to determine diffusion coefficients of 1,2-diethylbenzene, 1,4-diethylbenzene, 5-tert-butyl-m-xylene and phenylacetylene in supercritical carbon dioxide. Journal of chromatography. A 20071012
Environmental metabolite, 1,2-diacetylbenzene, produces cytotoxicity through ROS generation in HUVEC cells. Journal of toxicology and environmental health. Part A 20070801
A liquid chromatographic-mass spectrometric method to evaluate the distribution kinetics of 1,2-diethylbenzene and its metabolite 1,2-diacetylbenzene in the F344 male rat. Journal of toxicology and environmental health. Part A 20070101
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
A new murine model of giant proximal axonopathy. Acta neuropathologica 20050401
Theoretical determination of chromophores in the chromogenic effects of aromatic neurotoxicants. Journal of the American Chemical Society 20020320
Aromatic as well as aliphatic hydrocarbon solvent axonopathy. International journal of hygiene and environmental health 20020301
1,2-diacetylbenzene, the neurotoxic metabolite of a chromogenic aromatic solvent, induces proximal axonopathy. Toxicology and applied pharmacology 20011201
Toxicokinetics and metabolism of 1,2-diethylbenzene in male Sprague Dawley rats--part 2: evidence for in vitro and in vivo stereoselectivity of 1,2-diethylbenzene metabolism. Drug metabolism and disposition: the biological fate of chemicals 20010601
Properties