4-(Benzyloxy)-3,5-dimethylbenzoic acid

Basic Information

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CAS Number

97888-80-7

Molecular Formula

C16H16O3

Molecular Weight

256.3 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

159-162°C

Boiling Point

359.54°C (rough estimate)

Density

1.1320 (rough estimate)

Refractive Index

1.5590 (estimate)

SMILES

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OC(=O)c1cc(C)c(c(c1)C)OCc1ccccc1

InChI

InChI=1S/C16H16O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)

InChIKey

JABUPJCJZZNUFK-UHFFFAOYSA-N

LogP

3.5806400000000025

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

279

Synonyms & References

English

4-Benzyloxy-3,5-dimethylbenzoic acid
3,5-dimethyl-4-phenylmethoxybenzoic acid
4-Benzyloxy-3,5-dimethylbenzoicacid
3,5-Dimethyl-4-(phenylmethoxy)benzoic acid (ACI)

MDL Number

MFCD00272572

Customs Code

2918990090

FAQ

What is 4-(Benzyloxy)-3,5-dimethylbenzoic acid (CAS: 97888-80-7)?

4-(Benzyloxy)-3,5-dimethylbenzoic acid is a chemical compound with a CAS number of 97888-80-7. It is an organic compound with a molecular formula of C13H12O3. This compound is characterized by its aromatic structure and is commonly used in pharmaceuticals and research due to its functional groups.

What are the main uses of 4-(Benzyloxy)-3,5-dimethylbenzoic acid (CAS: 97888-80-7)?

4-(Benzyloxy)-3,5-dimethylbenzoic acid is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in research for its specific functional groups, contributing to the development of new chemical entities and therapeutic agents.

Is 4-(Benzyloxy)-3,5-dimethylbenzoic acid (CAS: 97888-80-7) safe?

4-(Benzyloxy)-3,5-dimethylbenzoic acid is generally safe when handled with proper precautions. However, it should be used with care as it may cause skin irritation. Protective measures include wearing gloves and goggles. It is not considered a hazardous material under normal handling conditions.

How should 4-(Benzyloxy)-3,5-dimethylbenzoic acid (CAS: 97888-80-7) be stored?

4-(Benzyloxy)-3,5-dimethylbenzoic acid 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 prevent contamination and degradation. Proper storage conditions are essential to maintain its stability and effectiveness.