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Key Documents

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04943

Sigma-Aldrich

4-Ethyltoluene

≥95.0% (GC)

Sinónimos:

1-Ethyl-4-methylbenzene, p-Ethylmethylbenzene

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About This Item

Fórmula lineal:
C2H5C6H4CH3
Número de CAS:
622-96-8
Peso molecular:
120.19
Beilstein/REAXYS Number:
1903007
EC Number:
210-761-2
MDL number:
MFCD00009263
UNSPSC Code:
12352100
PubChem Substance ID:
329747995
NACRES:
NA.22

Quality Level

100

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.)

SMILES string

CCc1ccc(C)cc1

InChI

1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChI key

JRLPEMVDPFPYPJ-UHFFFAOYSA-N

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Categorías relacionadas

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

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

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Certificados de análisis (COA)

Lot/Batch Number
BCBS3683V
BCBH8916V
1405980V
1405980
446162/1

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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
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
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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