4-(4-Phenylbutoxy)benzoic acid

Basic Information

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CAS Number

30131-16-9

Molecular Formula

C17H18O3

Molecular Weight

270.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

129.0 to 133.0 deg-C

Boiling Point

438℃/760mmHg

Density

1.122

Flash Point

159.7 °C

Refractive Index

1.577

SMILES

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c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)O

InChI

InChI=1S/C17H18O3/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)

InChIKey

XWCWFMQMZZPALR-UHFFFAOYSA-N

LogP

3.786500000000003

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

276

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-(4-Phenylbutoxy)benzoic acid
Benzoic acid,4-(4-phenylbutoxy)-
4-(4-phenyl-1-butoxy)benzoic acid
4-(4-Phenylbutoxy)benzoic acid (Pranlukast)
4-(4-phenylbutoxy)benzoic acid (intermediate of pranlukast)
4-(4-Phenylbutoxy)be
p-phenylbutoxybenzoic acid
Benzoic acid, 4-(4-phenylbutoxy)-
4-(4-Phenylbutoxy)-benzoic acid
PubChem22175
p-(phenylbutoxy)benzoic acid
p-(4-phenylbutoxy)benzoic acid
4-(4-phenyl butoxy)benzoic acid
4-(4-Phenylbutyloxy)benzoic acid
XWCWFMQMZZPALR-UHFFFAOYSA-N
4-(4-Phenyl butoxy) benzoic acid
BCP12462
TRA00307

MDL Number

MFCD07787608

Customs Code

2918990090

FAQ

What is 4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9)?

4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9) is an organic compound with the chemical formula C17H18O3. It features a benzoic acid backbone with a 4-phenylbutoxy substituent, making it a versatile intermediate in chemical synthesis. The compound is typically a solid at room temperature and exhibits moderate solubility in polar solvents. Its unique structure contributes to applications in pharmaceuticals and materials science.

What are the main uses of 4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9)?

4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9) is primarily used in pharmaceuticals as a precursor for drug development, particularly in anti-inflammatory and antiviral compounds. It also serves in industrial applications, such as polymer synthesis and fragrance creation. In research, it is utilized for studying chemical reactivity and as a building block for more complex molecules. Its utility stems from its functional groups and structural adaptability.

Is 4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9) safe?

4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9) is generally safe when handled according to standard chemical safety protocols. However, it may cause mild skin or eye irritation. Protective measures such as gloves, goggles, and proper ventilation are recommended. Safety data sheets (SDS) should be consulted for specific guidelines, and it is not classified as highly toxic under current regulations.

How should 4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9) be stored?

4-(4-Phenylbutoxy)benzoic acid (CAS: 30131-16-9) should be stored in a cool, dry place, away from light and moisture. Keep in a sealed container at temperatures between 2-8°C to maintain stability. Avoid exposure to air and incompatible materials. Proper storage ensures longevity and prevents degradation of its chemical properties.