Description

Ethyl 2,4,6-trimethylbenzoate (CAS No. 1754-55-8) is a high-purity ester compound with the molecular formula C₁₂H₁₆O₂. This aromatic ester, also known as ethyl mesitoate, is characterized by its trimethyl-substituted benzoate structure, offering excellent stability and reactivity for specialized synthetic applications. It is supplied as a clear to pale-yellow liquid with a mild aromatic odor, suitable for use in organic synthesis, pharmaceutical intermediates, and fine chemical production. With a purity of ≥98% (GC), this product is rigorously tested for quality, ensuring optimal performance in research and industrial processes. Store in a cool, dry place away from oxidizing agents to maintain integrity.

Properties

• CAS Number: 1754-55-8
• Complexity: 188
• IUPAC Name: ethyl 2,4,6-trimethylbenzoate
• InChI: InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3
• InChI Key: ZXTXIZPSMQCYBN-UHFFFAOYSA-N
• Exact Mass: 192.115029749
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25
• SMILES: CCOC(=O)C1=C(C=C(C=C1C)C)C
• Topological: 26.3
• Monoisotopic Mass: 192.115029749
• Synonyms: Ethyl 2,4,6-trimethylbenzoate, 1754-55-8, Benzoic acid, 2,4,6-trimethyl-, ethyl ester, ethyl mesitoate, J3SE9DS73G, EINECS 217-143-1, UNII-J3SE9DS73G, NSC-229348, Ethyl-2,4,6-trimethylbenzoate, DTXSID60169980, NSC 229348, DTXCID8092471, 217-143-1, zxtxizpsmqcybn-uhfffaoysa-n, 2,4,6-Trimethylbenzoic Acid Ethyl Ester, MFCD00015439, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester, Ethyl2,4,6-trimethylbenzoate, NSC229348, SCHEMBL571273, SCHEMBL2816114, SBB065154, AKOS008949016, AS-65716, SY043338, 2,4,6-trimethyl-benzoic acid ethyl ester, CS-0061546, E0736, NS00020595, ST50407868, Q63396627

Application

Ethyl 2,4,6-trimethylbenzoate is widely utilized as a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its sterically hindered structure makes it valuable for studying reaction mechanisms involving esterification and transesterification. Researchers also employ it as a precursor for synthesizing advanced materials, such as liquid crystals and specialty polymers, due to its robust aromatic framework.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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