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E49606

Sigma-Aldrich

3-Ethyltoluene

99%

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Synonym(s):
1-Ethyl-3-methylbenzene
Linear Formula:
C2H5C6H4CH3
CAS Number:
Molecular Weight:
120.19
Beilstein/REAXYS Number:
1850821
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

liquid

autoignition temp.

896 °F

refractive index

n20/D 1.496 (lit.)

bp

158-159 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

SMILES string

CCc1cccc(C)c1

InChI

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

InChI key

ZLCSFXXPPANWQY-UHFFFAOYSA-N

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1 of 4

This Item
206504130737486213
3-Ethyltoluene 99%

E49606

3-Ethyltoluene

4-Ethynyltoluene 97%

206504

4-Ethynyltoluene

3-Iodotoluene 99%

130737

3-Iodotoluene

Toluene-2,3,4,5,6-d5 98 atom % D

486213

Toluene-2,3,4,5,6-d5

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

200

bp

158-159 °C (lit.)

bp

168-170 °C (lit.)

bp

80-82 °C/10 mmHg (lit.)

bp

110 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

density

0.916 g/mL at 25 °C (lit.)

density

1.698 g/mL at 25 °C (lit.)

density

0.912 g/mL at 25 °C

refractive index

n20/D 1.496 (lit.)

refractive index

n20/D 1.547 (lit.)

refractive index

n20/D 1.604 (lit.)

refractive index

n20/D 1.495 (lit.)

form

liquid

form

liquid

form

liquid

form

-

Application

3-Ethyltoluene is generally used as a model alkylbenzene derivative for bond activation and C(sp3)-H functionalization studies.

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

100.4 °F - closed cup

flash_point_c

38 °C - closed cup

ppe

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


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Mechanism of C? H Bond Activation of Alkyl-Substituted Benzenes by Cationic Platinum (II) Complexes.
Driver T G, et al.
Organometallics, 24(15), 3644-3654 (2005)
Cu-Facilitated C? O Bond Formation Using N-Hydroxyphthalimide: Efficient and Selective Functionalization of Benzyl and Allylic C? H Bonds.
Lee J M, et al.
Journal of the American Chemical Society, 130(25), 7824-7825 (2008)
G M Whited et al.
Journal of bacteriology, 166(3), 1028-1039 (1986-06-01)
Pseudomonas putida BG1 was isolated from soil by enrichment with p-toluate and selection for growth with p-xylene. Other hydrocarbons that served as growth substrates were toluene, m-xylene, 3-ethyltoluene, and 1,2,4-trimethylbenzene. The enzymes responsible for growth on these substrates are encoded
Laura Vallecillos et al.
The Science of the total environment, 666, 235-244 (2019-02-25)
This study describes the implementation of a passive sampling-based method followed by thermal desorption gas-chromatography-mass spectrometry (TD-GC-MS) for the monitoring of volatile organic compounds (VOCs) in industrial atmospheres. However, in order to employ passive sampling as a reliable sampling technique
A Metal?Free Oxidative Dehydrogenative Diels?Alder Reaction for Selective Functionalization of Alkylbenzenes.
Manna S and Antonchick A P
Chemistry?A European Journal , 23(32), 7825-7829 (2017)

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