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620-14-4

620-14-4 Structure

620-14-4 Structure
IdentificationMore
[Name]

3-ETHYLTOLUENE
[CAS]

620-14-4
[Synonyms]

1-ETHYL-3-METHYLBENZENE
1-METHYL-3-ETHYLBENZENE
3-ETHYL-1-METHYLBENZENE
3-ETHYLTOLUENE
3-METHYLETHYLBENZENE
M-ETHYLTOLUENE
1,3-methylethylbenzene
3-ethyl
3-ethylmethylbenzene
Benzene, 3-ethyl-1-methyl-
benzene,1-ethyl-3-methyl-
-Ethyl-3-methyl-benzene
meta-Ethyltoluene
m-Ethylmethylbenzene
m-Methylethylbenzene
Toluene, m-ethyl-
3-ETHYLTOLUENE 98+%
[EINECS(EC#)]

210-626-8
[Molecular Formula]

C9H12
[MDL Number]

MFCD00009259
[Molecular Weight]

120.19
[MOL File]

620-14-4.mol
Questions And AnswerBack Directory
[Preparation]

The extractive distillation separation method for 3-ETHYLTOLUENE and p-toluene comprises the following steps: using dibutyl phthalate as the solvent for extractive distillation, the solvent is mixed with the raw material 3-ETHYLTOLUENE and p-toluene in a certain ratio and added to the extractive distillation column; after separation, the top of the column contains high-purity 3-ETHYLTOLUENE (≥97%), and the bottom of the column contains the solvent dibutyl phthalate + p-toluene; the bottom material is sent to a solvent regeneration column for vacuum distillation, and the top product is p-toluene (≥92%); the bottom solvent dibutyl phthalate can be returned to the extractive distillation column for recycling.
Chemical PropertiesBack Directory
[Melting point ]

-96°C
[Boiling point ]

158-159 °C(lit.)
[density ]

0.865 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.496(lit.)
[Fp ]

101 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Odor Threshold]

0.018ppm
[Water Solubility ]

Not miscible or difficult to mix in water.
[BRN ]

1850821
[InChI]

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

ZLCSFXXPPANWQY-UHFFFAOYSA-N
[SMILES]

C1(CC)=CC=CC(C)=C1
[CAS DataBase Reference]

620-14-4(CAS DataBase Reference)
[EPA Substance Registry System]

m-Ethyltoluene (620-14-4)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

N
[Risk Statements ]

R10:Flammable.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3295 3/PG 3
[WGK Germany ]

3
[RTECS ]

DA0712000
[Autoignition Temperature]

896 °F
[HS Code ]

2902.90.3050
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Hazard]

Moderately toxic. Low toxicity by inhalation.
[Uses]

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

It is used in the formation of 3-ethylsalicylic acid from 3-Ethyltoluene by Pseudomonas ovalis.
[Definition]

ChEBI: A derivative of toluene bearing an additional ethyl substituent at position 3.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 110, p. 2560, 1988 DOI: 10.1021/ja00216a032
Spectrum DetailBack Directory
[Spectrum Detail]

3-ETHYLTOLUENE(620-14-4)MS
3-ETHYLTOLUENE(620-14-4)1HNMR
3-ETHYLTOLUENE(620-14-4)13CNMR
3-ETHYLTOLUENE(620-14-4)IR1
3-ETHYLTOLUENE(620-14-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Ethyltoluene, 98+%(620-14-4)
[Sigma Aldrich]

620-14-4(sigmaaldrich)
[TCI AMERICA]

3-Ethyltoluene,>98.0%(GC)(620-14-4)
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