2,3-Dimethylbenzoic acid

Basic Information

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CAS Number

603-79-2

Molecular Formula

C9H10O2

Molecular Weight

150.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

144.0 to 147.0 deg-C

Boiling Point

281.5℃ at 760 mmHg

Density

1.0937 (estimate)

Flash Point

129.6℃

Refractive Index

1.5188 (estimate)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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Cc1cccc(C(=O)O)c1C

InChI

InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

RIZUCYSQUWMQLX-UHFFFAOYSA-N

LogP

2.00164

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

232

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2,3-Dimethylbenzoic acid
2,3- twoMethyl benzoic acid
Medetomidine Impurity 7
2,3-dimethyl-benzoicaci
Hemellitic acid
RARECHEM AL BO 0357
2,3-Dimethylbenzoic
2,3-dimethylbenzene carboxylic acid
2,3-Dimethyl-benzoesaeure
dimethylbenzoic acid
O-XYLENE-3-CARBOXYLIC ACID
vic.-o-xylylic acid
AATIRGOOSXTGFF-UHFFFAOYSA-N
Trimethylsilyl 2,3-dimethylbenzoate
vic.-o-Xylylic acid
o-Xylene-3-carboxylic Acid

MDL Number

MFCD00002479

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2,3-Dimethylbenzoic acid (CAS: 603-79-2)?

2,3-Dimethylbenzoic acid (CAS: 603-79-2) is a white crystalline solid with a molecular weight of 146.16 g/mol. It has a melting point of 106-107°C and a boiling point of 286°C. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is acidic and can react with bases to form salts. It is also susceptible to hydrolysis under basic conditions.

How is 2,3-Dimethylbenzoic acid (CAS: 603-79-2) typically synthesized?

2,3-Dimethylbenzoic acid is typically synthesized via the condensation of 2,3-dimethylbenzaldehyde with hydroxylamine hydrochloride followed by acidification. This process yields the compound with a high degree of selectivity and good yield. The reaction is carried out in an aqueous medium and requires appropriate catalysts and conditions to ensure optimal results.

What industries use 2,3-Dimethylbenzoic acid (CAS: 603-79-2)?

2,3-Dimethylbenzoic acid (CAS: 603-79-2) is used in various industries, including pharmaceuticals, where it serves as a precursor for certain drug intermediates. It is also used in the production of polymers for specialized applications, sensors, and semiconductor materials. The acid's properties make it valuable in these fields for its reactivity and stability.

What precautions should be taken when handling 2,3-Dimethylbenzoic acid (CAS: 603-79-2)?

When handling 2,3-Dimethylbenzoic acid (CAS: 603-79-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.