3,5-Dihydroxyphenyl Acetic Acid

Basic Information

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CAS Number

4670-09-1

Molecular Formula

C8H8O4

Molecular Weight

168.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

416.1°C at 760 mmHg

Density

1.478

Flash Point

219.6°C

Refractive Index

1.642

SMILES

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C1=C(C=C(C=C1O)O)CC(=O)O

InChI

InChI=1S/C8H8O4/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)

InChIKey

IOVOJJDSFSXJQN-UHFFFAOYSA-N

LogP

0.7248999999999999

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

158

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

3, 5-Dihydroxyphenylacetic acid
SCHEMBL477986
AT19147
2-(3 pound not5-Dihydroxyphenyl)acetic acid
UNII-2T78075BPM
Benzeneacetic acid, 3,5-dihydroxy-
2-(3,5-dihydroxyphenyl)aceticacid
SY102728
3,5-Dihydroxybenzeneacetic acid
4670-09-1
3,5-Dihdyroxyphenylacetic acid
(3,5-Dihydroxyphenyl)-acetic acid
AB15434
2T78075BPM
(3,5-Dihydroxyphenyl)acetic acid
MFCD03428543
Q27255572
InChI=1/C8H8O4/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,9-10H,3H2,(H,11,12)
ZB1034
CHEBI:131431
DS-7058
2-(3,5-dihydroxyphenyl)acetic acid
AKOS006278109
3,5-Dihydroxyphenylacetic acid
(3,5-Dihydroxy-phenyl)-acetic acid
3,5-Dihydroxyphenylaceticacid
FT-0645678
IOVOJJDSFSXJQN-UHFFFAOYSA-
DTXSID00196917
2-(3,5-Dihydroxyphenyl)acetic acid
3,5-Dihdyroxyphenyl aceticacid

MDL Number

MFCD03428543

Customs Code

2918290000

FAQ

What are the physical and chemical properties of 3,5-Dihydroxyphenyl Acetic Acid (CAS: 4670-09-1)?

3,5-Dihydroxyphenyl Acetic Acid (DHPA, CAS: 4670-09-1) is a crystalline solid with a molecular weight of approximately 188.14 g/mol. It has a pKa of about 4.1 and is moderately soluble in water. Chemically, it is reactive with bases and oxidizing agents, making it susceptible to hydrolysis and oxidation.

How is 3,5-Dihydroxyphenyl Acetic Acid (CAS: 4670-09-1) typically synthesized?

3,5-Dihydroxyphenyl Acetic Acid is commonly synthesized via the condensation of vanillic acid with acetic anhydride in the presence of a catalyst like p-toluenesulfonic acid. This method provides a high yield of product and ensures good selectivity towards the desired dihydroxy derivative.

What industries use 3,5-Dihydroxyphenyl Acetic Acid (CAS: 4670-09-1)?

3,5-Dihydroxyphenyl Acetic Acid is predominantly used in the pharmaceutical industry for the synthesis of certain drugs, particularly those containing catechol structures. It also finds application in the production of sensors, as a precursor in the development of semiconductors, and as a component in some polymer formulations.

What precautions should be taken when handling 3,5-Dihydroxyphenyl Acetic Acid (CAS: 4670-09-1)?

When handling 3,5-Dihydroxyphenyl Acetic Acid (CAS: 4670-09-1), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Proper spill management procedures should be followed, and the Safety Data Sheet (SDS) should always be consulted for detailed information on handling and disposal.