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E49800

Sigma-Aldrich

4-Ethyltoluene

technical grade, 90%

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About This Item

Linear Formula:
C2H5C6H4CH3
CAS Number:
622-96-8
Molecular Weight:
120.19
Beilstein:
1903007
EC Number:
210-761-2
MDL number:
MFCD00009263
UNSPSC Code:
12352100
PubChem Substance ID:
24894593
NACRES:
NA.22

grade

technical grade

Assay

90%

form

liquid

autoignition temp.

887 °F

refractive index

n20/D 1.495 (lit.)

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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Related Categories

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Danger

Hazard Statements

H226,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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
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
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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