2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid

Basic Information

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CAS Number

53949-53-4

Molecular Formula

C13H18O3

Molecular Weight

222.28 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

Melting Point

80-85°C

Boiling Point

367.5±22.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

190.3±18.8 °C

Solubility

Chloroform (Slightly), Methanol (Slightly)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)

InChIKey

RMOQYHYFRKTDRI-UHFFFAOYSA-N

LogP

2.5641

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)--alpha--methyl- (9CI)
1-Hydroxy Ibuprofen (Ibuprofen Impurity L)(Mixture of Diastereomers)
2-[4'-(1-Hydroxy-2-methylpropyl)phenyl]propionic Acid
4-(1-Hydroxy-2-methylpropyl)-a-methylbenzeneacetic Acid
4-(1-Hydroxy-2-Methylpropyl)-α-Methylbenzeneacetic Acid
1-Hydroxy Ibuprofen (Ibuprofen Impurity L) (Mixture of Diastereomers)
1-Hydroxyibuprofen
2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid
1-Hydroxy Ibuprofe
1-OH-ibuprofen
Ibuprofen Impurity L
UNII-8A1S87ZA87
2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid
Ibuprofen impurity L (PhEur)
1-Hydroxy-ibuprofen
2-(4-(1-hydroxy-2-methylpropyl)phenyl)propanoic acid

MDL Number

MFCD08275586

FAQ

What is 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (CAS: 53949-53-4)?

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid, also known as BMPPA, is a chemical compound with the CAS number 53949-53-4. It is a white to off-white crystalline powder with a strong, characteristic odor. It is soluble in water and has a melting point of 104-105°C.

What are the main uses of 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (CAS: 53949-53-4)?

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (BMPPA) is primarily used as a research tool in the pharmaceutical industry. It is also used in analytical chemistry as a derivatizing agent for gas chromatography, and in the food industry as a flavoring agent.

Is 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (CAS: 53949-53-4) safe?

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (BMPPA) is generally considered safe when used as directed. However, it should be handled with caution due to its strong odor and potential skin and eye irritation. Protective equipment such as gloves and goggles should be worn during handling.

How should 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (CAS: 53949-53-4) be stored?

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid (BMPPA) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect from moisture and air. The storage temperature should not exceed 30°C.