2,4,6-Trimethylbenzoic acid

Basic Information

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CAS Number

480-63-7

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

152.0 to 156.0 deg-C

Boiling Point

296.6°C at 760 mmHg

Flash Point

138℃

Refractive Index

1.5198 (estimate)

SMILES

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

InChI

InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)

InChIKey

FFFIRKXTFQCCKJ-UHFFFAOYSA-N

LogP

2.31006

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

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

Synonyms & References

English

EINECS 207-553-9
NSC-1119
FT-0609890
UNII-4PU2HG6787
A1720
Benzoic acid,4,6-trimethyl-
4PU2HG6787
AS-10833
W-106058
CHEBI:64830
AC1492
F1905-7180
2,4,6-Trimethylbenzoicacid
4-09-00-01854 (Beilstein Handbook Reference)
DTXCID4028175
NSC-407983
DTXSID6048200
AKOS000120671
Mesitoic acid
NSC1119
Tox21_303453
Mesitylene carboxylic acid
.beta.-Isodurylic acid
NCGC00334079-01
Mesitylenecarboxylic acid
InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12
EN300-20995
NSC 1119
CAS-480-63-7
beta-Isodurylic acid
AC-12366

MDL Number

MFCD00002481

Customs Code

29163900

FAQ

What is 2,4,6-Trimethylbenzoic acid (CAS: 480-63-7)?

2,4,6-Trimethylbenzoic acid (CAS: 480-63-7) is an organic compound with the chemical formula C10H12O2. It is a substituted benzoic acid containing three methyl groups at the 2, 4, and 6 positions on the benzene ring. This compound is known for its aromatic structure and acidic properties, making it relevant in various chemical applications.

What are the main uses of 2,4,6-Trimethylbenzoic acid (CAS: 480-63-7)?

2,4,6-Trimethylbenzoic acid (CAS: 480-63-7) is used in pharmaceuticals as a precursor for drug synthesis, in industrial applications for the production of dyes and coatings, and in research for studying organic reactions and molecular structures. It may also find applications in food additives and specialty chemical manufacturing.

Is 2,4,6-Trimethylbenzoic acid (CAS: 480-63-7) safe?

2,4,6-Trimethylbenzoic acid (CAS: 480-63-7) is generally considered safe in controlled environments, but it should be handled with care. Proper protective equipment, such as gloves and goggles, is recommended to avoid skin or eye contact. Inhalation and ingestion should be avoided, and safety data sheets (SDS) should be consulted for detailed handling guidelines.

How should 2,4,6-Trimethylbenzoic acid (CAS: 480-63-7) be stored?

2,4,6-Trimethylbenzoic acid (CAS: 480-63-7) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to ensure stability and prevent contamination. Storage should also comply with local chemical safety regulations.