1,4-Benzenedicarboxylic acid, mono(1,1-dimethylethyl) ester


Chemical Name: 1,4-Benzenedicarboxylic acid, mono(1,1-dimethylethyl) ester
CAS Number: 20576-82-3
Product Number: AG002ACW(AGN-PC-0LVHZ7)
Synonyms:
MDL No:
Molecular Formula: C12H13O4-
Molecular Weight: 221.2292

Identification/Properties


Properties
MP:
209-212 °C
BP:
351.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
222.24g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
222.089g/mol
Monoisotopic Mass:
222.089g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
269
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

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NMR Spectrum


Other Analytical Data


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Chemical Structure



Mono-tert-butyl terephthalate, also known as MTBT, is a versatile compound widely used in various chemical synthesis processes. This compound serves as a key intermediate in the production of polymers, specifically in the formation of polyethylene terephthalate (PET) resins. PET resins are widely utilized in the manufacturing of bottles, packaging materials, textiles, and other products across various industries.In chemical synthesis, Mono-tert-butyl terephthalate plays a crucial role as a building block for the creation of high-performance materials. Its unique structure and reactivity allow for precise control over the polymerization process, resulting in polymers with tailored properties such as enhanced strength, durability, and thermal resistance. Furthermore, the tert-butyl group in MTBT provides steric hindrance, influencing the overall architecture and characteristics of the final polymer product.Additionally, Mono-tert-butyl terephthalate can be modified through various chemical reactions to incorporate specific functional groups or additives, further expanding its application capabilities in the synthesis of advanced materials. Its compatibility with other monomers and additives makes it a valuable component in the development of custom polymers with desired properties for specific industrial or commercial applications.