E49606
3-Ethyltoluene
99%
Synonym(s):
1-Ethyl-3-methylbenzene
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About This Item
Linear Formula:
C2H5C6H4CH3
CAS Number:
Molecular Weight:
120.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-626-8
Beilstein/REAXYS Number:
1850821
MDL number:
Assay:
99%
Form:
liquid
InChI key
ZLCSFXXPPANWQY-UHFFFAOYSA-N
InChI
1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
SMILES string
CCc1cccc(C)c1
assay
99%
form
liquid
autoignition temp.
896 °F
Quality Level
bp
158-159 °C (lit.)
density
0.865 g/mL at 25 °C (lit.)
Related Categories
Application
3-Ethyltoluene is generally used as a model alkylbenzene derivative for bond activation and C(sp3)-H functionalization studies.
signalword
Warning
hcodes
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
Regulatory Information
危险化学品
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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)
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 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
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
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