Methyl 2,4,6-trimethylbenzoate

Basic Information

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CAS Number

2282-84-0

Molecular Formula

C11H14O2

Molecular Weight

178.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

239 °C at 760 mmHg

Density

1.011

Flash Point

239 °C at 760 mmHg

Refractive Index

1.507

SMILES

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

InChI

InChI=1S/C11H14O2/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3

InChIKey

PXLABDTXHJPRRH-UHFFFAOYSA-N

LogP

2.398460000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

177

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

METHYL-2,4,6-TRIMETHYL BENZOATE
DTXSID40334215
2,4,6-(CH3)3-C6H2-COOCH3
AS-13511
Methyl 2,4,6-trimethylbenzoate
SCHEMBL1036031
CS-0195885
2,4,6-trimethylbenzoic acid methyl ester
FT-0655574
CAA28284
AKOS008910830
2,4,6-trimethyl-benzoic acid methyl ester
Q27456443
methyl 2,4,6-trimethyl benzoate
Benzoic acid, 2,4,6-trimethyl-, methyl ester
Methyl .beta.-isodurilate
Methyl mesitoate
PXLABDTXHJPRRH-UHFFFAOYSA-N
D93284
2282-84-0
A816379
MFCD00184961
2,4,6-trimethylbenzoic acid, methyl ester
2,4,6-Trimethyl-benzoesaeure-methylester
Benzoic acid,2,4,6-trimethyl-,methyl ester
methyl mesitoate
2,4,6-Trimethylbenzoic acid methyl ester
PubChem15474
I507
Benzoic acid,2,4,6-trimethyl-, methyl ester
M-

MDL Number

MFCD00184961

FAQ

What are the physical and chemical properties of Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0)?

Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0) is a colorless to light yellow liquid with a pungent odor. It has a melting point of approximately -27°C, a boiling point of 251-252°C, and a molecular weight of around 202.25 g/mol. This compound is soluble in ethanol, acetone, and chloroform but is only slightly soluble in water. It is relatively stable under normal conditions but can react with strong acids or bases to form trimethylbenzoates or other derivatives.

How is Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0) typically synthesized?

Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0) is typically synthesized via the esterification of 2,4,6-trimethylbenzoic acid with methanol in the presence of a strong acid catalyst, such as sulfuric acid. The reaction is carried out under reflux conditions, and the product is then purified by distillation. The yield is generally around 85-90%, and the reaction proceeds with high selectivity to form the desired product.

What industries use Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0)?

Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0) is used in various industries. It is a common compound in the fragrance and flavor industry due to its pleasant odor. It is also used in the pharmaceutical industry as a solvent and in the production of some drugs. Additionally, it is utilized in the polymer industry as a plasticizer and in the synthesis of certain materials. Furthermore, it finds applications in the sensor and semiconductor industries as a component in some chemical sensors and as a precursor for organic semiconductors.

What precautions should be taken when handling Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0)?

When handling Methyl 2,4,6-trimethylbenzoate (CAS: 2282-84-0), it is essential to follow standard laboratory safety guidelines. Wear appropriate personal protective equipment, including gloves, safety goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight. Use a fume hood during handling to minimize inhalation risks. In case of a spill, immediately clean up and follow the manufacturer’s safety data sheet (SDS) guidelines for disposal. Always consult the SDS for specific safety information and local regulations.