(Ethoxymethyl)benzene

Basic Information

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CAS Number

539-30-0

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

2.5°C

Boiling Point

bp 186°; bp10 65°

Flash Point

52.9 °C

Refractive Index

nD20 1.4955

SMILES

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CCOCc1ccccc1

InChI

InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

AXPZDYVDTMMLNB-UHFFFAOYSA-N

LogP

2.2231000000000005

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

74.8

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(Ethoxymethyl)benzene
Benzene,(ethoxymethyl)-
BENZYL ETHYL ETHER
(ethoxymethyl)-benzene
ethyl benzyl ether
ethoxymethyl-benzene
(ethoxymethyl)benzene

MDL Number

MFCD00039903

Customs Code

2909309090

FAQ

What are the physical and chemical properties of (Ethoxymethyl)benzene (CAS: 539-30-0)?

(Ethoxymethyl)benzene (CAS: 539-30-0) is a colorless liquid with a molecular weight of approximately 137.17 g/mol. It has a slight aromatic odor and a density of 0.92 g/cm³. Solubility in water is very low, and it is highly soluble in organic solvents. Chemically, it is relatively stable under normal conditions but can undergo electrophilic substitution reactions. Its melting point is 11°C and boiling point is 116°C.

How is (Ethoxymethyl)benzene (CAS: 539-30-0) typically synthesized?

(Ethoxymethyl)benzene is typically synthesized via an ethoxylation reaction of benzene using ethylene oxide in the presence of a strong base such as sodium hydroxide. The reaction involves the substitution of a hydroxymethyl group for a hydrogen atom on the benzene ring. Common solvents like tetrahydrofuran (THF) are used, and the process can yield up to 95% purity with high selectivity.

What industries use (Ethoxymethyl)benzene (CAS: 539-30-0)?

(Ethoxymethyl)benzene (CAS: 539-30-0) is used in various industries, including pharmaceuticals for the synthesis of active pharmaceutical ingredients (APIs), in the production of polymers as a monomer, in the manufacturing of sensors for detecting aromatic compounds, and in the semiconductor industry as a chemical intermediate. It also finds applications in the preparation of agrochemicals and dyes.

What precautions should be taken when handling (Ethoxymethyl)benzene (CAS: 539-30-0)?

When handling (Ethoxymethyl)benzene (CAS: 539-30-0), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using absorbent materials, and the area should be flushed with water. Safety data sheets (SDS) should be consulted for detailed emergency procedures and other safety information. Store the compound in a cool, dry place away from sources of heat and ignition.