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E49606

Sigma-Aldrich

3-Ethyltoluene

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
Beilstein:
1850821
EC Number:
210-626-8
MDL number:
MFCD00009259
UNSPSC Code:
12352100
PubChem Substance ID:
24894592
NACRES:
NA.22

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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Application

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

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

100.4 °F - closed cup

Flash Point(C)

38 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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)
D A Kunz et al.
Journal of bacteriology, 146(1), 179-191 (1981-04-01)
Pseudocumene (1,2,4-trimethylbenzene) and 3-ethyltoluene were found to serve as growth substrates for Pseudomonas putida (arvilla) mt-2, in addition to toluene, m-xylene, and p-xylene as previously described. Similar observations were made with several additional P. putida strains also capable of growth
D L Cruden et al.
Applied and environmental microbiology, 58(9), 2723-2729 (1992-09-01)
Pseudomonas putida Idaho utilizes toluene, m-xylene, p-xylene, 1,2,4-trimethylbenzene, and 3-ethyltoluene as growth substrates when these hydrocarbons are provided in a two-phase system at 5 to 50% (vol/vol). Growth also occurs on Luria-Bertani medium in the presence of a wide range
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