Methyl 4-(2-hydroxyphenyl)butanoate

Basic Information

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CAS Number

93108-07-7

Molecular Formula

C11H14O3

Molecular Weight

194.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC(=O)CCCC1=CC=CC=C1O

InChI

InChI=1S/C11H14O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3

InChIKey

VBYOZNMHXQWSJY-UHFFFAOYSA-N

LogP

1.1530999999999998

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

179

Synonyms & References

English

methyl 2-hydroxy-4-phenylbutanoate
benzenebutanoic acid, α-hydroxy-, methyl ester
LogP
methyl 4-(2-hydroxyphenyl)butanoate
Butyric acid, 4-(o-hydroxyphenyl)-, methyl ester (7CI)
Methyl 2-hydroxybenzenebutanoate
DTXSID90477181
MFCD24714538
Benzenebutanoic acid, 2-hydroxy-, methyl ester
CS-0161008
UUMPJJUSWJCWJU-UHFFFAOYSA-N
Methyl 4-(2-hydroxyphenyl)butanoate
DB-125263
AKOS030623264
Methyl4-(2-hydroxyphenyl)butanoate
D83920
93108-07-7
methyl 4-hydroxyphenylbutyrate
methyl 4-(2-hydroxyphenyl)butyrate
DS-19993
SY287707
SCHEMBL7117086
2-hydroxybenzenebutanoic acid methyl ester

MDL Number

MFCD24714538

FAQ

What are the physical and chemical properties of Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7)?

Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7) is a white crystalline solid with a molecular weight of approximately 218.25 g/mol. It is sparingly soluble in water and soluble in organic solvents like ethanol and acetone. Chemically, it is reactive and can undergo ester hydrolysis under acidic conditions. It is used as a monomer in polymer synthesis and as a pharmaceutical intermediate.

How is Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7) typically synthesized?

Methyl 4-(2-hydroxyphenyl)butanoate is synthesized by esterification of 2-hydroxybenzoic acid (salicylic acid) with methyl alcohol in the presence of a strong acid catalyst like sulfuric acid. The reaction is carried out at elevated temperatures, typically around 100°C, with high selectivity and yield. The product is purified by recrystallization from ethanol.

What industries use Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7)?

Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drug compounds. It is also utilized in the polymer industry as a monomer for copolymerization. Additionally, it can be used in the development of sensors and as a precursor in semiconductor applications.

What precautions should be taken when handling Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7)?

When handling Methyl 4-(2-hydroxyphenyl)butanoate (CAS: 93108-07-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.