1-Ethyl-4-methylbenzene

Basic Information

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CAS Number

622-96-8

Molecular Formula

C9H12

Molecular Weight

120.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-62°C

Boiling Point

162 °C

Density

0.861 g/mL at 25 °C

Water Solubility

Insoluble in water.

Solubility

94.9mg/l (experimental)

Refractive Index

n20/D 1.495(lit.)<br />n20/D 1.496

SMILES

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CCC1=CC=C(C=C1)C

InChI

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

InChIKey

JRLPEMVDPFPYPJ-UHFFFAOYSA-N

LogP

2.5574200000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

68.1

Safety Information

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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

Explosive Limit

1.2-7%(V)

Synonyms & References

English

Benzene, 1-ethyl-4-methyl-
DTXCID409194
AKOS015889277
NS00002700
Tox21_200472
P-ETHYLTOLUENE
E0186
p-ethyl toluene
para-Ethyltoluene
Q24300547
NSC 74177
AC-22323
SY035727
Z1255434762
EN300-220464
Ethyltoluene, p-
A26230
para-ethyl-methyl-benzene
AI3-28772
4-Ethyltoluene 100 microg/mL in Methanol
BDBM50167943
WLN: 2R D1
UNII-G6JY83VLB5
4-Ethyltoluene, >=95.0% (GC)
InChI=1/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H
MFCD00009263
1-Ethyl-4-methyl-benzene
NSC-74177
DTXSID9029194
CCRIS 8525
NCGC00248643-01

MDL Number

MFCD00009263

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1-Ethyl-4-methylbenzene (CAS: 622-96-8)?

1-Ethyl-4-methylbenzene (CAS: 622-96-8) is a colorless, flammable liquid with a mild, aromatic odor. It has a molecular weight of approximately 120.19 g/mol and a boiling point of 151-152°C. The compound is slightly soluble in water but miscible with most organic solvents. It is moderately reactive towards electrophiles and can undergo substitution reactions. This compound is often used in the preparation of other organic compounds and as a solvent in various chemical processes.

How is 1-Ethyl-4-methylbenzene (CAS: 622-96-8) typically synthesized?

1-Ethyl-4-methylbenzene (CAS: 622-96-8) is commonly synthesized through the tosylate method, where toluene undergoes an alkylation reaction with ethyl bromide in the presence of a base like sodium hydride. This process yields a high yield of the target compound with good selectivity. The reaction is carried out under an inert atmosphere to prevent side reactions and ensure purity.

What industries use 1-Ethyl-4-methylbenzene (CAS: 622-96-8)?

1-Ethyl-4-methylbenzene (CAS: 622-96-8) is used in a variety of industries. It is employed in the synthesis of pharmaceuticals, where it serves as a precursor for drug intermediates. In the polymer industry, it is used as a monomer for the production of certain types of plastics. It also finds application in the development of sensors and as a solvent in organic synthesis processes.

What precautions should be taken when handling 1-Ethyl-4-methylbenzene (CAS: 622-96-8)?

When handling 1-Ethyl-4-methylbenzene (CAS: 622-96-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during preparation and manipulation to minimize exposure. Spills should be cleaned up immediately using an inert absorbent, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific guidelines and emergency procedures.