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04943

Sigma-Aldrich

4-Ethyltoluene

≥95.0% (GC)

Sinônimo(s):

1-Ethyl-4-methylbenzene, p-Ethylmethylbenzene

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About This Item

Fórmula linear:
C2H5C6H4CH3
Número CAS:
622-96-8
Peso molecular:
120.19
Beilstein:
1903007
Número CE:
210-761-2
Número MDL:
MFCD00009263
Código UNSPSC:
12352100
ID de substância PubChem:
329747995
NACRES:
NA.22

Nível de qualidade

100

Ensaio

≥95.0% (GC)

temperatura de autoignição

887 °F

índice de refração

n20/D 1.495 (lit.)
n20/D 1.496

pb

162 °C (lit.)

densidade

0.861 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

CCc1ccc(C)cc1

InChI

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

chave InChI

JRLPEMVDPFPYPJ-UHFFFAOYSA-N

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Categorias relacionadas

Pictogramas

FlameHealth hazard
GHS02,GHS08

Palavra indicadora

Danger

Frases de perigo

H226,H304

Classificações de perigo

Asp. Tox. 1 - Flam. Liq. 3

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

109.4 °F - closed cup

Ponto de fulgor (°C)

43 °C - closed cup

Equipamento de proteção individual

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificados de análise (COA)

Lot/Batch Number
BCCH4494
BCBS3683V
BCBH8916V
1405980V
1405980

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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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