2-(2-Carboxyethyl)benzoic acid

Basic Information

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CAS Number

776-79-4

Molecular Formula

C10H10O4

Molecular Weight

194.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

166-168 °C

Boiling Point

394.4°C at 760 mmHg

Density

1.330±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

206.5°C

Refractive Index

1.585

SMILES

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C1=CC=C(C(=C1)CCC(=O)O)C(=O)O

InChI

InChI=1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChIKey

VEEXBQLWMFMATJ-UHFFFAOYSA-N

LogP

1.4020000000000001

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

224

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

BENZENEPROPANOIC ACID, 2-CARBOXY-
2-Carboxybenzenepropanoic acid
2-(2-carboxyethyl)-benzoic acid
AM20041166
MFCD00016550
776-79-4
AKOS005216393
2-(2-carboxyethyl)benzoicacid
3-(2-Carboxyphenyl)propionic acid, 99%
VEEXBQLWMFMATJ-UHFFFAOYSA-N
NSC16637
2-(2-carboxyethyl) benzoic acid
DS-12917
NSC-16637
MB00245
3-(2-Carboxyphenyl)propionic acid
2-(2-carboxyethyl)benzoic acid
A839161
CS-W010663
DTXSID10280376
FT-0613529
SCHEMBL29062
3-(2-Carboxyphenyl)propanoic acid
4-(2-carboxyethyl)benzoic acid
Benzenepropanoic acid,2-carboxy-
O-CARBOXYPHENYLPROPIONIC ACID
2-carboxyphenylpropanoic acid
bishomophthalic acid
NSC 16637
Tetralic acid
o-Carboxyhydrocinnamic acid

MDL Number

MFCD00016550

Customs Code

2917399090

FAQ

What are the physical and chemical properties of 2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4)?

2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4) is a white or off-white crystalline solid. Its molecular weight is approximately 240.25 g/mol. It has a pKa of about 2.8 and is soluble in water, ethanol, and other polar solvents. This compound is known for its acidity and reactivity, making it useful in various chemical reactions.

How is 2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4) typically synthesized?

2-(2-Carboxyethyl)benzoic acid is typically synthesized through the reaction of 2-aminophenol with acryloyl chloride followed by hydrolysis to form the carboxylic acid. Commonly, this process involves the use of a phase transfer catalyst and an organic solvent. The yield is usually around 85-90%, and the reaction is carried out under mild conditions to ensure selectivity.

What industries use 2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4)?

2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4) is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis. It is also used in the production of polymers, sensors, and semiconductors. Its ability to form stable complexes and its reactivity make it valuable in these applications.

What precautions should be taken when handling 2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4)?

When handling 2-(2-Carboxyethyl)benzoic acid (CAS: 776-79-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or fume hood due to its volatility. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) should always be consulted for specific safety guidelines.