1-Methoxy-3-methylbenzene

Basic Information

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CAS Number

100-84-5

Molecular Formula

C8H10O

Molecular Weight

122.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-47°C

Boiling Point

177°C

Water Solubility

Soluble in alcohol and insoluble in water.

Refractive Index

n20/D 1.513(lit.)

SMILES

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COc1cccc(C)c1

InChI

InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3

InChIKey

OSIGJGFTADMDOB-UHFFFAOYSA-N

LogP

2.0036199999999997

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

80.6

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Stability

Stable. Flammable. Incompatible with strong oxidizing agents.

Synonyms & References

English

3-Methylanisole
1-METHOXY-3-METHYLBENZENE
AMBROL
m-methyl-anisol
Meta Cresyl Methyl Ether
3-Methoxtoluene
Benzene,1-methoxy-3-methyl
m-cresyl methyl ethe
3-Methoxytoluene
m-Methylanisole
3-MEHYLANISOLE
3-methyl-anisole
3-methylmethoxybenzene
Anisole,m-methyl
m-Cresol Methyl Ether
meta-methylanisole
METHYL-M-CRESOL
M-METHOXYTOLUENE
Anisole, m-methyl-
1-Methoxy-3-methylbenzene
3-METHYLANISOLE
M-METHYLANISOLE
3-METHOXYTOLUENE
Meta-Methylanisole

MDL Number

MFCD00008395

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Methoxy-3-methylbenzene (CAS: 100-84-5)?

1-Methoxy-3-methylbenzene (CAS: 100-84-5) is a colorless, crystalline solid with a molecular weight of 130.19 g/mol. It has a melting point of 45-46°C and a boiling point of 268-270°C. This compound is slightly soluble in water but soluble in common organic solvents such as ethanol, acetone, and chloroform. Chemically, it is less reactive compared to other aromatic compounds but can undergo electrophilic substitution reactions under appropriate conditions.

How is 1-Methoxy-3-methylbenzene (CAS: 100-84-5) typically synthesized?

1-Methoxy-3-methylbenzene can be synthesized via the Friedel-Crafts acylation of 3-methylbenzene with methanol in the presence of a Lewis acid catalyst, such as aluminum trichloride (AlCl3). The reaction yields the desired product with good selectivity and moderate yield, although the exact yield depends on the reaction conditions and catalyst used.

What industries use 1-Methoxy-3-methylbenzene (CAS: 100-84-5)?

1-Methoxy-3-methylbenzene (CAS: 100-84-5) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, where it can be used to produce nonsteroidal anti-inflammatory drugs (NSAIDs). In the polymer industry, it serves as a monomer for certain types of resins. Additionally, it has applications in the production of sensors and semiconductors due to its aromatic structure.

What precautions should be taken when handling 1-Methoxy-3-methylbenzene (CAS: 100-84-5)?

When handling 1-Methoxy-3-methylbenzene (CAS: 100-84-5), handle with care in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the storage area is cool and dry. In case of a spill, use appropriate absorbents and follow proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.