3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid

Basic Information

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CAS Number

4228-66-4

Molecular Formula

C9H8O5

Molecular Weight

196.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

447.3°C at 760 mmHg

SMILES

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C1=CC(=C(C=C1CC(=O)C(=O)O)O)O

InChI

InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)

InChIKey

LQQFFJFGLSKYIR-UHFFFAOYSA-N

LogP

0.29399999999999993

Topological Polar Surface Area

94.83 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

237

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

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

Synonyms & References

English

A801974
AKOS015889780
CS-0157104
DTXSID70962409
Q27109260
3-(3,4-dihydroxy-phenyl)-2-oxo-propionic acid
3,4-Dihydroxyphenylacetylformic acid
EN300-1831178
3,4-dihydroxyphenyltyruvic acid
4,5-Dihydroxyphenylacetylformic acid
MFCD08460177
4228-66-4
Benzenepropanoic acid, 3,4-dihydroxy-alpha-oxo-
DHPPA
beta-(3,4-dihydroxylphenyl)pyruvic Acid
DS-17541
3-(3,4-Dihydroxyphenyl)-2-oxopropanoicacid
F15598
Benzenepropanoic acid, 3,4-dihydroxy-.alpha.-oxo-
3,4-dihydroxy-alpha-oxobenzenepropanoic acid
3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid #
C04045
3,4-Dihydroxyphenylpyruvic acid
CHEBI:19891
A872916
3-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-propanoic acid
FT-0655694
3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid
109170-71-0
SCHEMBL1331519
3-(3,4-Dihydroxyphenyl)pyruvic acid

MDL Number

MFCD08460177

FAQ

What is 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid (CAS: 4228-66-4)?

3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid, also known as chlorogenic acid, is a natural phenolic compound commonly found in plants. Its chemical formula is C14H14O8. It has antioxidant properties and is used in various applications including pharmaceuticals, food additives, and research.

What are the main uses of 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid (CAS: 4228-66-4)?

3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid is primarily used in the pharmaceutical industry as an anti-inflammatory and anti-oxidant agent. It is also utilized as a food additive for its potential health benefits and as a research tool in biochemistry and pharmacology.

Is 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid (CAS: 4228-66-4) safe?

3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid is generally considered safe when used as directed. However, it is important to follow safety guidelines, including proper handling and storage, to minimize any potential risks. Avoid contact with skin and eyes, and ensure proper ventilation during use.

How should 3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid (CAS: 4228-66-4) be stored?

3-(3,4-Dihydroxyphenyl)-2-oxopropanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to protect from moisture and contamination. It is recommended to store at a temperature not exceeding 25°C to maintain its stability and effectiveness.