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E49606

3-Ethyltoluene

Name: 3-Ethyltoluene
Brand: ALDRICH

99%

Synonym(s):

1-Ethyl-3-methylbenzene

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About This Item

Linear Formula:

C₂H₅C₆H₄CH₃

CAS Number:

620-14-4

Molecular Weight:

120.19

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24894592

EC Number:

210-626-8

Beilstein/REAXYS Number:

1850821

MDL number:

MFCD00009259

Assay:

99%

Form:

liquid

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Properties

Quality Level

100

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

Description

Application

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

pictograms

GHS02

signalword

Warning

hcodes

H226

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

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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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)

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)

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)

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