2-(4-Butylphenyl)propanoic acid

Basic Information

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CAS Number

3585-49-7

Molecular Formula

C13H18O2

Molecular Weight

206.28 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

Flash Point

2℃

SMILES

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CCCCC1=CC=C(C=C1)C(C)C(=O)O

InChI

InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H,14,15)

InChIKey

FEFPDZIYEWFQFK-UHFFFAOYSA-N

LogP

3.2173000000000007

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

193

Synonyms & References

English

DTXSID901299877
AKOS016358369
CS-0120855
SCHEMBL4096060
Z1508926979
2-(4-butylphenyl)-propionic acid
2-(4-BUTYLPHENYL)PROPANOICACID
(2Rs)-2-(4-butylphenyl)propanoic acid solution
p-Butyl Ibuprofen
KSG3G9J7OY
MFCD08275581
2-(4-BUTYLPHENYL)PROPANOIC ACID
Benzeneacetic acid,4-butyl-a-methyl-
EN300-6507242
3585-49-7
BENZENEACETIC ACID, 4-BUTYL-.ALPHA.-METHYL-
Benzeneacetic acid, 4-butyl-alpha-methyl-
IBUPROFEN IMPURITY B [EP IMPURITY]
FT-0664136
W-202475
(2RS)-2-(4-Butylphenyl)propanoic acid
4-BUTYL-.ALPHA.-METHYLBENZENEACETIC ACID
p-Butyl Ibuprofen Sodium Salt
p-Butylhydratropic Acid
Benzeneacetic acid, 4-butyl-a-methyl-
(2RS)-2-(4-Butylphenyl)propanoic Acid; Ibuprofen Imp. B (EP); Ibuprofen Impurity B
4-Butyl-alpha-methylbenzeneacetic acid
Ibuprofen Impurity B
Ibuprofen impurity B [EP]
Q27282412
2-(4-n-Butylphenyl)propionic Acid

MDL Number

MFCD08275581

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-(4-Butylphenyl)propanoic acid (CAS: 3585-49-7)?

2-(4-Butylphenyl)propanoic acid is a crystalline solid with a molecular weight of approximately 214.35 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and acetone. The compound is reactive towards bases and can participate in esterification reactions. It is not flammable but appropriate handling precautions should be taken to avoid skin and eye contact.

How is 2-(4-Butylphenyl)propanoic acid (CAS: 3585-49-7) typically synthesized?

2-(4-Butylphenyl)propanoic acid is commonly synthesized via a Friedel-Crafts acylation process, where 4-butylation of phenylacetic acid is followed by acylation with acetyl chloride. The reaction typically requires a Lewis acid catalyst like aluminum chloride and is conducted under anhydrous conditions to achieve a yield of around 70-80%.

What industries use 2-(4-Butylphenyl)propanoic acid (CAS: 3585-49-7)?

2-(4-Butylphenyl)propanoic acid finds applications in pharmaceuticals, where it serves as a precursor for certain drug molecules. It is also used in the production of sensors for environmental monitoring and in the synthesis of specific polymers that require specific functional groups. Its use in semiconductors is limited but it can be a component in some organic semiconductor materials.

What precautions should be taken when handling 2-(4-Butylphenyl)propanoic acid (CAS: 3585-49-7)?

When handling 2-(4-Butylphenyl)propanoic acid, it is important to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Ensure the use of a fume hood to minimize inhalation risk. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.