1-Methoxy-3,5-dimethylbenzene

Basic Information

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CAS Number

874-63-5

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-.2

Boiling Point

193°C

Density

0.963 g/mL at 25 °C

Refractive Index

n20/D 1.512(lit.)

SMILES

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COc1cc(C)cc(C)c1

InChI

InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3

InChIKey

JCHJBEZBHANKGA-UHFFFAOYSA-N

LogP

2.3120400000000005

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

90.9

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

1-Methoxy-3,5-dimethylbenzene
1,3-DIMETHYL-5-METHOXYBENZENE
3,5-DIMETHYLANISOLE
5-METHOXY-M-XYLENE
Anisole, 3,5-dimethyl
Benzene, 1-methoxy-3,5-dimethyl-
3,5-Dimethylanisole1000µg
SPECS AC-509
JCHJBEZBHANKGA-UHFFFAOYSA-N
1-methoxy-3,5-dimethyl-benzene
3,5-dimethylanisol
NSC406910
3,5-Dimethylanizole
NCIOpen2_003733
KSC494E7H
5-Methoxy-1,3-dimethylbenzene
JCHJBEZBHANKGA-UHFFFAOYSA-
3,5-Dimethylphenyl methyl ether
5-Methoxy-m-xylene
1,3-Dimethyl-5-methoxybenzene
1-Methoxy-3,5-dimethylbenzene (ACI)
Anisole, 3,5-dimethyl- (6CI, 7CI, 8CI)
3,5-Dimethylanisole
NSC 406910

MDL Number

MFCD00008398

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5)?

1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5) is a colorless to light yellow liquid with a molecular weight of approximately 178.23 g/mol. It has a melting point of -11°C and a boiling point of 162-164°C. The compound is slightly soluble in water but miscible with organic solvents like ethanol, acetone, and chloroform. It is chemically stable under normal conditions but may react with strong oxidizing agents. It is flammable and should be handled with caution.

How is 1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5) typically synthesized?

1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5) can be synthesized via a Friedel-Crafts reaction. The process involves the reaction of toluene with methanol in the presence of aluminum chloride as a catalyst. The reaction yields a high yield of 1-Methoxy-3,5-dimethylbenzene. The selectivity is good, and the reaction conditions are mild, making it a practical method for industrial production.

What industries use 1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5)?

1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, especially as a precursor for anti-inflammatory drugs. It also finds applications in the production of dyes, pigments, and as a component in some polymers. Additionally, it is used in the manufacturing of certain types of sensors and semiconductors.

What precautions should be taken when handling 1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5)?

When handling 1-Methoxy-3,5-dimethylbenzene (CAS: 874-63-5), appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat should be worn. The compound should be stored in a cool, well-ventilated area away from sources of ignition. Spills should be absorbed with diatomaceous earth or similar materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage information. Fume hoods should be used during handling to minimize exposure and inhalation risks.