[(2,2-Diethoxyethoxy)methyl]benzene

Basic Information

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CAS Number

42783-78-8

Molecular Formula

C13H20O3

Molecular Weight

224.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

99-100 °C/0.6 mmHg

Refractive Index

n20/D 1.478(lit.)

SMILES

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CCOC(COCC1=CC=CC=C1)OCC

InChI

InChI=1S/C13H20O3/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

InChIKey

VTYTZCJKJNWMGA-UHFFFAOYSA-N

LogP

2.6023000000000005

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

149

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AKOS009159070
Benzyloxyacetaldehyde diethyl acetal, 95%
((2,2-Diethoxyethoxy)methyl)benzene
SY106388
SCHEMBL1087301
CS-0299244
VTYTZCJKJNWMGA-UHFFFAOYSA-N
(2,2-diethoxy-ethoxymethyl)-benzene
42783-78-8
DTXSID40962698
A872819
AS-62449
EN300-202990
1-BENZYLOXY-2,2-DIETHOXYETHANE
FT-0622856
[(2,2-Diethoxyethoxy)methyl]benzene
D86369
2,2-diethoxyethoxymethylbenzene
Benzyloxyacetaldehyde diethyl acetal
2-(benzyloxy)acetaldehyde diethyl acetal
MFCD00051786

MDL Number

MFCD00051786

Customs Code

2911000000

FAQ

What are the physical and chemical properties of [(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8)?

[(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8) is a colorless to light yellow liquid with a molecular weight of approximately 328.42 g/mol. It has a low melting point of -32°C and a boiling point of 202°C. The compound is slightly soluble in water but miscible with many organic solvents. It is moderately reactive, particularly towards nucleophiles and electrophiles, making it useful in various chemical reactions.

How is [(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8) typically synthesized?

[(2,2-Diethoxyethoxy)methyl]benzene is typically synthesized via the benzyl triflate route, where trifluoroacetylbenzene is reacted with 2,2-diethoxyethanol in the presence of a base such as potassium carbonate. The reaction yields the desired compound with good selectivity and moderate to high yield, depending on the reaction conditions.

What industries use [(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8)?

[(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8) is used in pharmaceuticals for the synthesis of intermediates, sensors for detecting specific chemical compounds, and as a precursor in semiconductor manufacturing. It is also utilized in the production of high-performance polymers and as a stabilizer in organic solvents.

What precautions should be taken when handling [(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8)?

When handling [(2,2-Diethoxyethoxy)methyl]benzene (CAS: 42783-78-8), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the reaction is carried out in a well-ventilated area or a fume hood. Dispose of any spills or waste according to the Material Safety Data Sheet (MSDS) guidelines. Always refer to the SDS for detailed safety information and emergency procedures.