Benzoic acid, 2,6-dihydroxy-, methyl ester


Chemical Name: Benzoic acid, 2,6-dihydroxy-, methyl ester
CAS Number: 2150-45-0
Product Number: AG00355O(AGN-PC-0JS952)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Properties
MP:
67-70°C
BP:
253.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
158
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2,6-dihydroxybenzoate serves as a versatile building block in chemical synthesis, offering a range of applications across various industries. Its unique structure and reactivity make it a valuable precursor for the production of specialized compounds and materials.In organic synthesis, Methyl 2,6-dihydroxybenzoate can be utilized for the preparation of novel pharmaceuticals, agrochemicals, and specialty chemicals. Its hydroxy and ester functional groups enable facile derivatization, allowing for the modification of its properties to suit specific requirements.Moreover, Methyl 2,6-dihydroxybenzoate can be employed as a key intermediate in the synthesis of natural products, dyes, and flavors. Its presence in the molecular structure imparts desirable attributes, influencing the biological activity, color, and aroma of the final products.Additionally, in polymer chemistry, Methyl 2,6-dihydroxybenzoate can act as a monomer in the formation of high-performance polymers with enhanced thermal and mechanical properties. By incorporating this compound into the polymer backbone, it is possible to tailor the material's characteristics for advanced applications in industries such as aerospace, electronics, and automotive.Overall, the strategic utilization of Methyl 2,6-dihydroxybenzoate in chemical synthesis enables the development of innovative compounds with diverse functionalities, paving the way for new opportunities in research, development, and product formulation.