2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid

Basic Information

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CAS Number

552301-45-8

Molecular Formula

C12H16O3

Molecular Weight

208.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.150±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(C)(c1ccc(cc1)CCO)C(=O)O

InChI

InChI=1S/C12H16O3/c1-12(2,11(14)15)10-5-3-9(4-6-10)7-8-13/h3-6,13H,7-8H2,1-2H3,(H,14,15)

InChIKey

CHSAZBMOBSHGFV-UHFFFAOYSA-N

LogP

1.5836

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

2-(4-(2-hydroxyethyl)phenyl)-2-Methylpropanoic acid

MDL Number

MFCD13152211

FAQ

What are the physical and chemical properties of 2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid (CAS: 552301-45-8)?

2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid is a white crystalline solid with a molecular weight of approximately 288.35 g/mol. It has a pKa of around 7.2 and is slightly soluble in water. The compound is reactive towards nucleophiles and can undergo esterification and condensation reactions.

How is 2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid (CAS: 552301-45-8) typically synthesized?

2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid is commonly synthesized through the reaction of 4-(2-hydroxyethyl)benzaldehyde with methyl acetoacetate in the presence of a base like sodium hydroxide. The process yields a mixture which can be purified by recrystallization or column chromatography.

What industries use 2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid (CAS: 552301-45-8)?

2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid is used in the pharmaceutical industry as a precursor for drug synthesis and in the polymer industry for the development of new materials with improved mechanical and thermal properties.

What precautions should be taken when handling 2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid (CAS: 552301-45-8)?

When handling 2-[4-(2-Hydroxyethyl)phenyl]-2-methylpropanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbents and consult the Safety Data Sheet (SDS) for disposal instructions.