(2,5-Dimethylphenyl)acetic acid

Basic Information

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CAS Number

13612-34-5

Molecular Formula

C10H12O2

Molecular Weight

164.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

128.0 to 132.0 deg-C

Boiling Point

293.4℃ at 760 mmHg

Density

1.098

Flash Point

190.5 °C

SMILES

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CC1=CC(=C(C=C1)C)CC(=O)O

InChI

InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChIKey

RUSCTNYOPQOXDJ-UHFFFAOYSA-N

LogP

1.93054

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

165

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

Synonyms & References

English

AMY2952
(2,5-dimethylphenyl)acetic acid
2-(2,5-dimethyl-phenyl)-acetic acid
2,5-Xylylacetic acid
AKOS000295882
SY020969
(2,5-Dimethylphenyl)acetic acid, AldrichCPR
2,5-Dimethylphenyl acetic acid
SCHEMBL37138
CK2073
(2,5-Dimethyl-phenyl)-acetic acid
Benzeneacetic acid, 2,5-dimethyl-
BB 0248968
D3779
MFCD00014369
263EN9T9PC
EN300-64150
UNII-263EN9T9PC
2,5-dimethylbenzeneacetic acid
Z234894443
NS00024410
13612-34-5
EINECS 237-097-6
FS-3147
FT-0610473
BCP29307
2.5-Dimethylphenylessigsaure
2-(2,5-dimethylphenyl)acetic acid
CS-W016088
DTXSID60159669
2,5-DIMETHYLPHENYLACETIC ACID

MDL Number

MFCD00014369

Customs Code

2916399090

FAQ

What are the physical and chemical properties of (2,5-Dimethylphenyl)acetic acid (CAS: 13612-34-5)?

(2,5-Dimethylphenyl)acetic acid is a white crystalline solid with a molecular weight of approximately 198.25 g/mol. It has a solubility of about 1.0 g/L in water. Chemically, it is relatively stable but can react with strong bases to form sodium or potassium salts. It is sparingly soluble in water but more soluble in organic solvents like ethanol and acetone.

How is (2,5-Dimethylphenyl)acetic acid (CAS: 13612-34-5) typically synthesized?

(2,5-Dimethylphenyl)acetic acid is typically synthesized by the acetylation of 2,5-dimethylphenol. This process often involves the use of acetic anhydride as the acylating agent and a catalytic amount of a strong acid like sulfuric acid. The reaction is carried out in an organic solvent such as toluene under reflux conditions, typically yielding a product with a purity of over 95%.

What industries use (2,5-Dimethylphenyl)acetic acid (CAS: 13612-34-5)?

(2,5-Dimethylphenyl)acetic acid is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, where it serves as a building block in the production of certain drugs. It also finds applications in the polymer industry as a modifier in the synthesis of certain plastics. Additionally, it is used in the production of sensors and as a raw material in semiconductor manufacturing.

What precautions should be taken when handling (2,5-Dimethylphenyl)acetic acid (CAS: 13612-34-5)?

When handling (2,5-Dimethylphenyl)acetic acid, it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from heat and incompatible materials. Spills should be cleaned up carefully using appropriate tools and materials. Always refer to the safety data sheet (SDS) for specific handling and disposal procedures.