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611-14-3

611-14-3 Structure

611-14-3 Structure
IdentificationMore
[Name]

2-ETHYLTOLUENE
[CAS]

611-14-3
[Synonyms]

1-ETHYL-2-METHYLBENZENE
1-METHYL-2-ETHYLBENZENE
2-ETHYL-1-METHYLBENZENE
2-ETHYLTOLUENE
2-METHYLETHYLBENZENE
O-ETHYLTOLUENE
1,2-methylethylbenzene
1-ethyl-2-methyl-benzen
2-ethyl-3-methylbenzene
2-ethylmethylbenzene
benzene,1-ethyl-2-methyl-
ethyltoluene
o-Ethylmethylbenzene
o-ethyl-toluen
o-Methylethylbenzene
ortho-Ethyltoluene
Toluene, o-ethyl-
2-ETHYLTOLUENE 99+%
2-Ethyltoluene, 98+%
Ethyltoluene, o-
[EINECS(EC#)]

210-255-1
[Molecular Formula]

C9H12
[MDL Number]

MFCD00009257
[Molecular Weight]

120.19
[MOL File]

611-14-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[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
[Dielectric constant]

2.2(24℃)
[InChI]

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

HYFLWBNQFMXCPA-UHFFFAOYSA-N
[SMILES]

CCc1ccccc1C
[CAS DataBase Reference]

611-14-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-ethyl-2-methyl-(611-14-3)
[EPA Substance Registry System]

611-14-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
[Signal word ]

Danger
[Hazard statements ]

H226-H304
[Precautionary statements ]

P210-P233-P240-P241-P301+P310-P331
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R65:Harmful: May cause lung damage if swallowed.
[Safety Statements ]

S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 3295 3/PG 3
[WGK Germany ]

3
[RTECS ]

XT2500000
[Autoignition Temperature]

824 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29349990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Flam. Liq. 3
[Toxicity]

LD50 orally in Rabbit: 5000 mg/kg
Hazard InformationBack Directory
[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: A member of the class of toluenes carrying an ethyl group at the ortho-position.
[Toxics Screening Level]

The ITSL for 1-ethyl-2-methylbenzene has been changed from 0.04 μg/m3 to 0.1 μg/m3 based on an annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

2-ETHYLTOLUENE(611-14-3)MS
2-ETHYLTOLUENE(611-14-3)1HNMR
2-ETHYLTOLUENE(611-14-3)13CNMR
2-ETHYLTOLUENE(611-14-3)IR1
2-ETHYLTOLUENE(611-14-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Ethyltoluene, 98+%(611-14-3)
[Sigma Aldrich]

611-14-3(sigmaaldrich)
[TCI AMERICA]

2-Ethyltoluene,>99.0%(GC)(611-14-3)
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