1-Ethyl-2-methylbenzene

Basic Information

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CAS Number

611-14-3

Molecular Formula

C9H12

Molecular Weight

120.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−17 °C

Boiling Point

166°C

Density

0.887 g/mL at 25 °C

Water Solubility

Soluble in water (74.6 mg/L (25°C)).

Solubility

74.6mg/l (experimental)

Refractive Index

n20/D 1.505(lit.)

SMILES

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CCC1=CC=CC=C1C

InChI

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

InChIKey

HYFLWBNQFMXCPA-UHFFFAOYSA-N

LogP

2.5574200000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

76.1

Safety Information

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GHS Hazard Pictograms

H226

H304

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H304 May be fatal if swallowed and enters airways
Aspiration hazard

Hazard Class

Class 3 Class 3

Synonyms & References

English

CS-W009542
o-Methylethylbenzene
611-14-3
CAS-611-14-3
AC-6953
FT-0603747
J-504600
1-Methyl-2-ethylbenzene
25550-14-5
Ethyltoluene
2-ethyl-1-methylbenzene
NSC405731
2-ethyl toluene
ortho-Ethyltoluene
2-Methyl-1-ethylbenzene
Tox21_303797
BIDD:ER0573
o-Ethyl methyl benzene
DBX00873SV
2-Ethyltoluene, 99%
NCGC00356979-01
1,2-methylethylbenzene
MFCD00009257
E0184
o-Ethylmethylbenzene
CHEMBL364233
UNII-DBX00873SV
AI3-28773
DTXSID2050403
2-ethylmethylbenzene
DTXCID5029477

MDL Number

MFCD00009257

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1-Ethyl-2-methylbenzene (CAS: 611-14-3)?

1-Ethyl-2-methylbenzene (CAS: 611-14-3) is a colorless liquid with a distinct aromatic odor. It has a molecular weight of approximately 120.19 g/mol and a density of 0.876 g/cm³. The compound is slightly soluble in water but miscible with organic solvents. It is relatively stable but can react with strong oxidizing agents. Its vapor pressure is low, and it has a boiling point of 150.3°C and a melting point of -52°C.

How is 1-Ethyl-2-methylbenzene (CAS: 611-14-3) typically synthesized?

1-Ethyl-2-methylbenzene (CAS: 611-14-3) is commonly synthesized via the Friedel-Crafts alkylation of toluene with ethyl chloride in the presence of aluminum chloride as a catalyst. The reaction is carried out under mild to moderate conditions, yielding high selectivity and good overall yield. Other methods include palladium-catalyzed cross-coupling reactions, though they are less common for this specific compound.

What industries use 1-Ethyl-2-methylbenzene (CAS: 611-14-3)?

1-Ethyl-2-methylbenzene (CAS: 611-14-3) is primarily used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also utilized in the polymer industry for the production of various resins and plastics. Additionally, it finds applications in sensor technology and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 1-Ethyl-2-methylbenzene (CAS: 611-14-3)?

Precautions when handling 1-Ethyl-2-methylbenzene (CAS: 611-14-3) include using appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, well-ventilated area away from sources of ignition. Fume hoods should be used during handling to minimize inhalation risks. In the case of a spill, spill kits should be used, and the area should be cleaned up carefully following safety protocols. Always consult the Safety Data Sheet (SDS) for detailed safety information.