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E49401

Sigma-Aldrich

2-Ethyltoluene

99%

Synonym(s):

1-Ethyl-2-methylbenzene, 1-Methyl-2-ethylbenzene, 2-Methyl-1-ethylbenzene, 2-Methylethylbenzene, o-Ethylmethylbenzene, o-Ethyltoluene, o-Methylethylbenzene

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About This Item

Linear Formula:
C2H5C6H4CH3
CAS Number:
611-14-3
Molecular Weight:
120.19
Beilstein/REAXYS Number:
1851237
EC Number:
210-255-1
MDL number:
MFCD00009257
UNSPSC Code:
12352100
PubChem Substance ID:
24894591
NACRES:
NA.22

Quality Level

100

assay

99%

form

liquid

autoignition temp.

824 °F

refractive index

n20/D 1.505 (lit.)

bp

164-165 °C (lit.)

mp

−17 °C (lit.)

density

0.887 g/mL at 25 °C (lit.)

SMILES string

CCc1ccccc1C

InChI

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

InChI key

HYFLWBNQFMXCPA-UHFFFAOYSA-N

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pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

hcodes

H226,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

127.4 °F - closed cup

flash_point_c

53 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ4898
STBF6467V
STBC3185V
S90128V
S90128

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A Stojić et al.
Environmental science and pollution research international, 22(17), 13137-13152 (2015-05-01)
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Magdalena Wrona et al.
Talanta, 172, 37-44 (2017-06-13)
Recently oxobiodegradable polyethylene gained popularity as food packaging material due to its potential to reduce polymer waste. However, this type of material can release after its oxidation off-odour compounds that affect the organoleptic properties of packaged food. Odour compounds released
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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