3-(4-Hydroxyphenyl)-4-hexynoic acid

Basic Information

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CAS Number

865233-34-7

Molecular Formula

C12H12O3

Molecular Weight

30.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC#CC(CC(=O)O)c1ccc(O)cc1

InChI

InChI=1S/C12H12O3/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h4-7,10,13H,8H2,1H3,(H,14,15)

InChIKey

QFYGPUAIMQUIOO-UHFFFAOYSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

276

Synonyms & References

English

(+/-)-3-(4-hydroxy-phenyl)-hex-4-ynoic acid
3-(4-Hydroxyphenyl)hex-4-ynoic acid
3-(4-Hydroxyphenyl)hex-4-ynoicacid
Benzenepropanoic acid, 4-hydroxy-beta-1-propyn-1-yl-
QFYGPUAIMQUIOO-UHFFFAOYSA-N
3-(4-Hydroxyphenyl)-4-hexynoic acid
3-(4-hydroxyphenyl)-hex-4-ynoic acid
3-(4-hydroxyphenyl)-hex-4-inoic acid
3-(4-hydroxyphenyl)hex-4-ynoic acid

MDL Number

MFCD21605732

FAQ

What regulatory guidelines apply to 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7)?

The 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7) falls under the regulation of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which requires specific hazard communication elements such as signal words, pictograms, and hazard statements. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals), where it must meet certain data requirements and may require authorization if it poses significant risks. FDA and EPA guidelines apply for any commercial or industrial applications, ensuring safe handling, use, and disposal.

Are there alternatives to 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7) in synthesis?

Alternatives to 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7) in synthesis include other hydroxyphenyl derivatives, such as 4-hydroxybenzoic acid or similar carboxylic acids. Isomers like 4-(3-hydroxyphenyl)but-3-en-2-one can also serve as alternatives. Common alternative reagents include phenols, aldehydes, and ketones, which can be used in various synthetic routes to achieve similar functional groups.

What is the market or research trend for 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7)?

The market for 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7) is growing due to its applications in pharmaceuticals, cosmetics, and biotechnology. Research trends are focused on its therapeutic potential in anti-inflammatory and anticancer treatments, as well as its use as a photodynamic agent. The demand is expected to increase with further developments in these fields, driven by its unique chemical properties and growing interest in natural and synthetic compounds with bioactive properties.

How should waste containing 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7) be handled?

Waste containing 3-(4-Hydroxyphenyl)-4-hexynoic acid (CAS: 865233-34-7) should be collected in appropriate containers labeled with the proper hazard information. For small quantities, incineration can be an effective method, but professional waste disposal services should be utilized for larger amounts to ensure compliance with local regulations. Environmental precautions include preventing the release of waste into water systems and ensuring proper storage to prevent contamination of soil and groundwater. Compliance with EPA and local hazardous waste disposal guidelines is essential.