2-Ethyltoluene

CAS No.：611-14-3

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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2-Ethyltoluene Basic information

Product Name:	2-Ethyltoluene
Synonyms:	2-ethyl-3-methylbenzene;2-ethylmethylbenzene;benzene,1-ethyl-2-methyl-;ethyltoluene;o-Ethylmethylbenzene;1,2-methylethylbenzene;1-ethyl-2-methyl-benzen;o-ethyl-toluen
CAS:	611-14-3
MF:	C9H12
MW:	120.19
EINECS:	210-255-1
Product Categories:	Building Blocks;Chemical Synthesis;Arenes;Building Blocks;Organic Building Blocks;Organic Building Blocks
Mol File:	611-14-3.mol

2-Ethyltoluene Chemical Properties

Melting point	−17 °C(lit.)
Boiling point	164-165 °C(lit.)
density	0.887 g/mL at 25 °C(lit.)
vapor pressure	2.8 hPa (20 °C)
refractive index	n20/D 1.505(lit.)
Fp	103 °F
storage temp.	Store below +30°C.
solubility	74.6mg/l (experimental)
form	clear liquid
color	Colorless
Odor Threshold	0.074ppm
Water Solubility	Soluble in water (74.6 mg/L (25°C)).
BRN	1851237
InChIKey	HYFLWBNQFMXCPA-UHFFFAOYSA-N
CAS DataBase Reference	611-14-3(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-ethyl-2-methyl-(611-14-3)
EPA Substance Registry System	o-Ethyltoluene (611-14-3)

Safety Information

Hazard Codes	Xn
Risk Statements	10-65
Safety Statements	62
RIDADR	UN 3295 3/PG 3
WGK Germany	3
RTECS	XT2500000
Autoignition Temperature	824 °F
TSCA	Yes
HS Code	2902 90 00
HazardClass	3
PackingGroup	III
Toxicity	LD50 orally in Rabbit: 5000 mg/kg

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English
ALFA	English

2-Ethyltoluene Usage And Synthesis

Chemical Properties	clear colorless to slightly yellow liquid
Uses	2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.
Definition	ChEBI: 2-Ethyltoluene is a member of the class of toluenes carrying an ethyl group at the ortho-position.

2-Ethyltoluene Preparation Products And Raw materials

Raw materials	Benzenemethanamine, α,2-dimethyl-N-[(1S)-1-phenylethyl]-, (αS)--->(S)-o-Methyl-a-phenylethylamine-->3-O-TOLYL-PROPIONALDEHYDE-->2-(4-METHYLPHENYL)ETHANOL-->Triethoxysilane-->1-(2-METHYLPHENYL)ETHANOL-->2-METHYLSTYRENE-->2-Bromoethylbenzene-->4-Methylphenylacetic acid-->2-ETHYLIODOBENZENE-->Methyllithium-->Butyraldehyde
Preparation Products	o-Xylene-->O-TOLUAMIDE-->3-ETHYLTOLUENE

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