04943
4-乙基甲苯
≥95.0% (GC)
别名:
1-Ethyl-4-methylbenzene, p-Ethylmethylbenzene
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关于此项目
线性分子式:
C2H5C6H4CH3
化学文摘社编号:
分子量:
120.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-761-2
Beilstein/REAXYS Number:
1903007
MDL number:
产品名称
4-乙基甲苯, ≥95.0% (GC)
InChI key
JRLPEMVDPFPYPJ-UHFFFAOYSA-N
InChI
1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
SMILES string
CCc1ccc(C)cc1
assay
≥95.0% (GC)
autoignition temp.
887 °F
refractive index
n20/D 1.495 (lit.)
n20/D 1.496
bp
162 °C (lit.)
density
0.861 g/mL at 25 °C (lit.)
Quality Level
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signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
109.4 °F - closed cup
flash_point_c
43 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
R Swiercz et al.
International journal of occupational medicine and environmental health, 13(4), 307-315 (2001-03-30)
The toxicity of 4-ethyltoluene to experimental animals was studied after single and repeated exposures. It was found that 4-ethyltoluene can be classified as a very mild skin and eye irritant. Sensory respiratory irritation of 4-ethyltoluene was studied in Balb/C male
E Janik-Spiechowicz et al.
Mutation research, 417(2-3), 95-100 (1998-09-12)
A combination of assays for gene mutations in Salmonella typhimurium TA97a, TA98, TA100 and TA102 strains with and without rat liver activation, and for micronucleus and sister chromatid exchange (SCE) in bone marrow cells of Imp:Balb/c mice was used to
T Tomas et al.
Medycyna pracy, 48(3), 307-315 (1997-01-01)
The study aimed at evaluating the effect of 4-ethyltoluene and pseudocumene on the central nervous system and comparing the obtained results with those presented earlier. The effect of the study compounds was assessed on the basis of changes in spontaneous
Alessandro Scarso et al.
Journal of the American Chemical Society, 125(46), 13981-13983 (2003-11-13)
Reversible coencapsulation of a solute molecule and a single solvent molecule takes place in solution at ambient temperature. Two isomeric complexes are formed (social isomers), and their relative energies are assessed by NMR methods. Intermolecular interactions between 3 aromatic solutes
Alan P Graves et al.
Journal of medicinal chemistry, 48(11), 3714-3728 (2005-05-27)
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting
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