Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester


Chemical Name: Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester
CAS Number: 2524-37-0
Product Number: AG003Q2B(AGN-PC-0JLPI2)
Synonyms:
MDL No:
Molecular Formula: C10H12O4
Molecular Weight: 196.1999

Identification/Properties


Properties
MP:
129-132 °C(lit.)
BP:
349.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5430 (estimate)
Computed Properties
Molecular Weight:
196.202g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
196.074g/mol
Monoisotopic Mass:
196.074g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
204
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2,4-dihydroxy-6-methylbenzoate is a versatile compound that finds significant utility in chemical synthesis processes. Its unique structure allows for the incorporation of specific functional groups during organic reactions, making it a valuable building block in the creation of various chemical compounds. In particular, Ethyl 2,4-dihydroxy-6-methylbenzoate serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its presence in the reaction pathway can lead to the formation of complex molecular structures with desired properties. Additionally, this compound is utilized in the synthesis of antioxidants, fragrances, and other fine chemicals, demonstrating its wide-ranging applicability in the field of chemistry.