3,5-Dimethylbenzoic acid

Basic Information

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CAS Number

499-06-9

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

168.0 to 172.0 deg-C

Boiling Point

277.9°C at 760 mmHg

Water Solubility

Soluble in methanol. (1 g/10 mL). Slightly soluble in water.

Flash Point

128

Refractive Index

1.5188 (estimate)

SMILES

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

InChI

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

InChIKey

UMVOQQDNEYOJOK-UHFFFAOYSA-N

LogP

2.0016399999999996

pKa

4.32(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

144

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

BDBM50405323
FT-0602342
A827889
NSC37562
STR01989
3,5-dimethylbenzoate;3,5-Dimethylbenzoic acid
NSC-37562
F2191-0064
3,5-Dimethylbenzoicacid
ED8AV34N0Y
sym.-m-Xylylic acid
NS00031981
EN300-20123
CHEMBL118239
BRN 1072182
NSC 37562
D71201
3,5-Dimethylbenzoic acid, 99%
3,5-Dimethylbenzoic-d9Acid
MFCD00002525
499-06-9
DTXSID4060101
AM20060638
D0684
3,5-Dimethylbenzoic acid, purum, >=97.0% (HPLC)
3,5-DIMETHYLBENZOIC ACID
UNII-ED8AV34N0Y
Benzoic acid, 3,5-dimethyl-
3,5-Dimethyl benzoic acid
AC-10405
3,5 Dimethylbenzoic acid

MDL Number

MFCD00002525

Customs Code

29163900

FAQ

What is 3,5-Dimethylbenzoic acid (CAS: 499-06-9)?

3,5-Dimethylbenzoic acid (CAS: 499-06-9) is an organic compound with the chemical formula C9H10O2. It is a substituted benzoic acid featuring methyl groups at the 3rd and 5th positions of the benzene ring. This compound is known for its aromatic structure and is commonly used in various chemical applications. It appears as a white crystalline solid with a characteristic odor and is slightly soluble in water.

What are the main uses of 3,5-Dimethylbenzoic acid (CAS: 499-06-9)?

3,5-Dimethylbenzoic acid (CAS: 499-06-9) is primarily used in the pharmaceutical industry as an intermediate in drug synthesis. It also finds applications in the production of dyes, perfumes, and polymers. Additionally, it is used in research for developing new materials and in the food industry as a flavoring agent. Its versatility makes it valuable across multiple sectors.

Is 3,5-Dimethylbenzoic acid (CAS: 499-06-9) safe?

3,5-Dimethylbenzoic acid (CAS: 499-06-9) is generally considered safe when handled properly. However, it may cause skin and eye irritation, so protective measures like gloves and safety goggles are recommended. It is important to follow safety standards and proper ventilation to minimize exposure. Always consult safety data sheets for detailed handling and disposal guidelines.

How should 3,5-Dimethylbenzoic acid (CAS: 499-06-9) be stored?

3,5-Dimethylbenzoic acid (CAS: 499-06-9) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container made of glass or high-density polyethylene to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life.