Benzoic acid, 2,4,6-trimethyl-, methyl ester


Chemical Name: Benzoic acid, 2,4,6-trimethyl-, methyl ester
CAS Number: 2282-84-0
Product Number: AG006ZZB(AGN-PC-0JS977)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
177
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2,4,6-trimethylbenzoate is commonly used in chemical synthesis as a versatile building block for creating various organic compounds. This compound serves as a valuable intermediate in the production of a wide range of pharmaceuticals, agrochemicals, and fragrance ingredients. Its unique chemical structure allows it to participate in numerous reactions, such as esterification, acylation, and Friedel-Crafts reactions, leading to the synthesis of diverse molecules with different properties and functions. In addition to its utility as a synthetic precursor, Methyl 2,4,6-trimethylbenzoate also imparts specific aromatic and ester-like characteristics to the final products, making it ideal for applications where these properties are desired. Its compatibility with various reaction conditions and its versatility in forming different chemical bonds make it a valuable tool for chemists and researchers involved in organic synthesis.