2,5-Dimethylbenzoic acid

Basic Information

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CAS Number

610-72-0

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

132-134 °C

Boiling Point

268 °C

Density

1.069

Flash Point

268℃subl.

Solubility

Solubility - Very faint turbidity with Methanol.

Refractive Index

1.5188 (estimate)

SMILES

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

InChI

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

InChIKey

XZRHNAFEYMSXRG-UHFFFAOYSA-N

LogP

2.0016399999999996

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

154

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

Synonyms & References

English

p-Xylene-2-carboxylic Acid
InChI=1/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11
610-72-0
2,5-DIMETHYLBENZOIC ACID
SCHEMBL223101
Benzoic acid, 2,5-dimethyl-
Z85921039
Isoxylic acid
2-Carboxy-1,4-dimethylbenzene
CK2188
F2182-0128
CHEBI:64825
AE-562/43387288
AC-3055
2,5-Dimethylbenzoic acid, Vetec(TM) reagent grade, 97%
W-105202
2,5-Dimethylbenzoicacid
AKOS000119551
RKE5PMK0H6
2,5-dimethylbenzoic acid (en)
EN300-18586
p-Xylylic acid
SY003687
HMS1767P14
2,5-dimethylbenzenecarboxylic acid
FT-0610460
FS-2352
2.5-dimethylbenzoic acid
DTXSID2060591
CS-W018147
NS00034554

MDL Number

MFCD00002482

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2,5-Dimethylbenzoic acid (CAS: 610-72-0)?

2,5-Dimethylbenzoic acid (CAS: 610-72-0) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes labeling for health hazards, physical hazards, and environmental hazards. In the European Union, it falls under the REACH regulation, requiring registration for substances above 1 tonne per year. For use in the United States, it may be subject to FDA guidelines and EPA regulations, particularly in relation to environmental discharge and workplace safety.

Are there alternatives to 2,5-Dimethylbenzoic acid (CAS: 610-72-0) in synthesis?

Alternatives to 2,5-Dimethylbenzoic acid (CAS: 610-72-0) in synthesis include other carboxylic acids like 2,4-dimethylbenzoic acid or 2,5-dimethyl-3-hydroxybenzoic acid. Isomers and analogues such as 3,4-dimethylbenzoic acid can also serve as viable substitutes. These alternatives offer similar functionality but with varying structural properties, making them suitable for specific applications in chemical synthesis.

What is the market or research trend for 2,5-Dimethylbenzoic acid (CAS: 610-72-0)?

The market for 2,5-Dimethylbenzoic acid (CAS: 610-72-0) is driven by its applications in pharmaceuticals, agrochemicals, and analytical reagents. Research trends focus on its use as an intermediate in the synthesis of drugs and pesticides. Emerging studies are exploring its potential in biosensors and as a biocompatible material. Market trends indicate increasing demand due to its multifunctionality and reactivity, but price fluctuations may be influenced by supply chain disruptions and regulatory changes.

How should waste containing 2,5-Dimethylbenzoic acid (CAS: 610-72-0) be handled?

Waste containing 2,5-Dimethylbenzoic acid (CAS: 610-72-0) should be collected in appropriate containers lined with plastic. It should be stored separately from incompatible substances and labeled with warning signs. During disposal, ensure the waste is neutralized or treated to reduce toxicity before incineration or professional chemical waste disposal. Follow local and national regulations for hazardous waste management to minimize environmental impact and comply with legal requirements.