4,4-Bis(4-hydroxyphenyl)pentanoic acid

Basic Information

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CAS Number

126-00-1

Molecular Formula

C17H18O4

Molecular Weight

286.33 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

174.0 to 177.0 deg-C

Boiling Point

388.69°C (rough estimate)

Flash Point

208°C

Refractive Index

1.5450 (estimate)

SMILES

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CC(CCC(=O)O)(c1ccc(O)cc1)c2ccc(O)cc2

InChI

InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)

InChIKey

VKOUCJUTMGHNOR-UHFFFAOYSA-N

LogP

3.268600000000002

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

317

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Diphenolic Acid
4,4-bis(4-hydroxyphenyl)pentanoic acid
4,4'-bis(4-hydroxyphenyl)valeric acid
ctfa
4,4-Bis(4-hydroxyphenyl)valeric acid
4,4-BIS(4'-HYDROXYPHENYL)-VALERIC ACID
3-d]pyriMidine
TIMTEC-BB SBB009924
4,
2-Methyl-5-(4
5-Methyl-3-(4
5-DiMethyl-4-(4
tert-Butyl 5-(4
7-Trichloropyrido[2
4,4-Bis(4-hydroxyphenyl)valeric Acid
4,4-Bis(4-hydroxyphenyl)pentanoic acid
4,4'-Bis(4-hydroxyphenyl)valeric acid
CTFA
DIPHENOLIC ACID

MDL Number

MFCD00002800

Customs Code

2918290000

FAQ

What are the physical and chemical properties of 4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1)?

4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1) is a white crystalline solid with a molecular weight of approximately 298.28 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable under normal conditions, but it can undergo hydrolysis under acidic or basic conditions. It is not reactive towards common organic reagents but can participate in condensation reactions under certain conditions.

How is 4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1) typically synthesized?

4,4-Bis(4-hydroxyphenyl)pentanoic acid can be synthesized through a condensation reaction of 4-hydroxybenzoic acid with pentanedioic acid. The reaction is typically catalyzed by a Lewis acid like aluminum chloride or zinc chloride. The yield is around 85-90%, and the product is purified by recrystallization from ethanol. The reaction is conducted under mild conditions to ensure high selectivity and purity.

What industries use 4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1)?

4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various drug molecules and can be used to improve the properties of certain polymers, such as increasing their mechanical strength and thermal stability. Additionally, it has potential applications in the development of sensors and semiconductors.

What precautions should be taken when handling 4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1)?

When handling 4,4-Bis(4-hydroxyphenyl)pentanoic acid (CAS: 126-00-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be performed in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions, and ensure that the substance is stored in a cool, dry place away from direct sunlight and heat sources.