1-(3-Hydroxy-4-methoxyphenyl)ethanone

Basic Information

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CAS Number

6100-74-9

Molecular Formula

C9H10O3

Molecular Weight

166.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

88-92 °C

Boiling Point

329.9±27.0 °C at 760 mmHg

Density

1.158

Flash Point

135.7±17.2 °C

Refractive Index

1.537

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CC(=O)C1=CC(=C(C=C1)OC)O

InChI

InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3

InChIKey

YLTGFGDODHXMFB-UHFFFAOYSA-N

LogP

1.6034

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

s3210
3 inverted exclamation mark -Hydroxy-4 inverted exclamation mark -methoxyacetophenone
CHEBI:67899
Z1255365043
Q1674373
AKOS005255948
1-(3-Hydroxy-4-methoxyphenyl)ethanone #
NSC 30050
1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone)
5-ACETYL-2-METHOXYPHENOL
acetoisovanillone
SY023193
UNII-286G943O33
1-(3-hydroxy-4-methoxy-phenyl)ethanone
NSC-30050
4'-Methoxy-3'-hydroxyacetophenone
1-(3-HYDROXY-4-METHOXYPHENYL)-1-ETHANONE
J-512636
Ethanone, 1-(3-hydroxy-4-methoxyphenyl)-
NSC30050
3-Hydroxy-4-methoxyacetophenone
3'-Hydroxy-4'-methoxyacetophenone, 97%
AM20050223
MFCD00182975
FS-3203
A23204
1-(3-Hydroxy-4-methoxyphenyl)ethanone
EN300-216676
4-Methoxy-3-hydroxyacetophenone
6100-74-9
3'-Hydroxy-4'-methoxy-acetophenone

MDL Number

MFCD00182975

Customs Code

2914509090

FAQ

What are the physical and chemical properties of 1-(3-Hydroxy-4-methoxyphenyl)ethanone (CAS: 6100-74-9)?

1-(3-Hydroxy-4-methoxyphenyl)ethanone has a crystalline form and a molecular weight of approximately 214.22 g/mol. It is slightly soluble in water and has good solubility in organic solvents such as ethanol and dichloromethane. The compound is moderately reactive, showing partial acidity due to the hydroxyl group and partial basicity due to the methoxy group. It exhibits a melting point of 87-88°C and a boiling point of 225-227°C. It is a colorless to slightly yellow liquid at room temperature.

How is 1-(3-Hydroxy-4-methoxyphenyl)ethanone (CAS: 6100-74-9) typically synthesized?

1-(3-Hydroxy-4-methoxyphenyl)ethanone is typically synthesized via a condensation reaction between 3-hydroxy-4-methoxybenzaldehyde and acetaldehyde. The reaction is catalyzed by acid catalysts such as p-toluenesulfonic acid (p-TSA) and proceeds with a yield of about 70-80%. The process involves heating the mixture under reflux conditions for several hours, followed by purification using column chromatography or crystallization techniques.

What industries use 1-(3-Hydroxy-4-methoxyphenyl)ethanone (CAS: 6100-74-9)?

1-(3-Hydroxy-4-methoxyphenyl)ethanone is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers, where it acts as a monomer. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-(3-Hydroxy-4-methoxyphenyl)ethanone (CAS: 6100-74-9)?

When handling 1-(3-Hydroxy-4-methoxyphenyl)ethanone (CAS: 6100-74-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a well-ventilated area and away from sources of ignition. In case of a spill, the area should be ventilated and the spill cleaned up using absorbent materials. Consult the Safety Data Sheet (SDS) for detailed information and emergency procedures.