3-ETHYLTOLUENE

3-ETHYLTOLUENE Basic information

Product Name:	3-ETHYLTOLUENE
Synonyms:	3-METHYLETHYLBENZENE;3-ETHYL-1-METHYLBENZENE;M-ETHYLTOLUENE;m-Ethyltoluene 100mg [620-14-4];3-Ethyltoluene 99%;1-Ethyl-3-methylbenzene(3-ethyltoluene);3-ETHYLTOLUENE;1,3-methylethylbenzene
CAS:	620-14-4
MF:	C9H12
MW:	120.19
EINECS:	210-626-8
Product Categories:	Arenes;Building Blocks;Organic Building Blocks
Mol File:	620-14-4.mol

3-ETHYLTOLUENE Chemical Properties

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
InChIKey	ZLCSFXXPPANWQY-UHFFFAOYSA-N
CAS DataBase Reference	620-14-4(CAS DataBase Reference)
EPA Substance Registry System	m-Ethyltoluene (620-14-4)

Safety Information

Hazard Codes	N
Risk Statements	10-51/53
Safety Statements	16-61
RIDADR	UN 3295 3/PG 3
WGK Germany	3
RTECS	DA0712000
Autoignition Temperature	896 °F
HS Code	2902.90.3050
HazardClass	3
PackingGroup	III

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

3-ETHYLTOLUENE Usage And Synthesis

Uses	It is used in the formation of 3-ethylsalicylic acid from 3-Ethyltoluene by Pseudomonas ovalis.
Uses	3-Ethyltoluene is generally used as a model alkylbenzene derivative for bond activation and C(sp³)-H functionalization studies.
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
Hazard	Moderately toxic. Low toxicity by inhalation.

3-ETHYLTOLUENE Preparation Products And Raw materials

Raw materials	4-ETHYLTOLUENE-->2-Ethyltoluene-->3'-Methylacetophenone-->Benzene-13C, 1,2-diethyl- (9CI)-->6-Phenyl-6-methyl-1-cyclohexene-3-one-->3-ETHYL-O-XYLENE-->1,3-DIETHYL-5-METHYLBENZENE-->1,3-Diethylbenzene-->1,4-DIETHYLBENZENE-->Bromoethane-->Ethanol-->Aluminum chloride-->Toluene
Preparation Products	3,4-DIMETHYLHEXANE-->N-NONANE-->3-ACETYLBENZOIC ACID-->1-bromo-4-ethyl-2-methylbenzene

Dodecahydrotriphenylene 2-FLUORENECARBOXALDEHYDE 2-tert-Butylanthraquinone ANTHRAQUINONE-2-CARBOXYLIC ACID 9-Fluorenone-4-carboxylic acid 1-AMINO-2-METHYLANTHRAQUINONE Emodin 9H-FLUORENE-4-CARBOXYLIC ACID 3-(Trifluoromethyl)phenylacetone 3,3'-BIS(TRIFLUOROMETHYL)DIPHENYLMETHANE 2-Methyl anthraquinone 1-AMINO-4-BROMO-2-METHYLANTHRAQUINONE 2-(HYDROXYMETHYL)ANTHRAQUINONE 9-Fluorenone-2-carboxylic acid 3,3'-BIS(TRIFLUOROMETHYL)BENZOPHENONE ALIZARIN COMPLEXONE Chrysophanic acid 3-(TRIFLUOROMETHYL)BENZOPHENONE

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