54100-53-7

Basic information

• Product Name: 2,5-Dimethyl-terephthalic acid dimethyl ester
• Synonyms: 2,5-Dimethyl-terephthalic acid dimethyl ester;dimethyl 2,5-dimethylterephthalate
• CAS NO: 54100-53-7
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222
• EINECS: -0
• Mol File: 54100-53-7.mol

Chemical Properties

• Melting Point: 114-116 °C
• Boiling Point: 309.9°C at 760 mmHg
• Flash Point: 150°C
• Appearance: /
• Density: 1.123g/cm³
• Vapor Pressure: 0.000623mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: 2,5-Dimethyl-terephthalic acid dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Dimethyl-terephthalic acid dimethyl ester(54100-53-7)
• EPA Substance Registry System: 2,5-Dimethyl-terephthalic acid dimethyl ester(54100-53-7)

Safety Data

• Hazardous Substances Data: 54100-53-7(Hazardous Substances Data)

Usage

Physical form

Colorless, crystalline solid

Molecular weight

222.24 g/mol

Production method

Produced by esterification of 2,5-dimethylterephthalic acid with methanol

Uses

Used in the production of polyester resins, fibers, and films. Commonly used as a plasticizer in polymers to improve flexibility and durability, and as a monomer in the production of PET (polyethylene terephthalate), a common material used in the manufacturing of plastic bottles and containers.

Alternative to

Potential alternative to traditional phthalate plasticizers, which are known to have negative health and environmental effects.

InChI:InChI=1/C12H14O4/c1-7-5-10(12(14)16-4)8(2)6-9(7)11(13)15-3/h5-6H,1-4H3

Upstream product

• 6051-66-7 2,5-dimethylterephthalic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 1074-24-4 2,5-dibromo-p-xylene 
• 39095-25-5 2,5-dimethylbenzene-1,4-dicarbonitrile 
• 67-56-1 methanol 
• 89-32-7 Pyromellitic dianhydride 

Downstream Products

• 100193-38-2 dimethyl 2,5-dimethyl-3-nitroterephthalate 
• 109844-67-9 4-(methoxycarbonyl)-2,5-dimethylbenzoic acid 
• 54100-54-8 dimethyl 2,5-bis(bromomethyl)benzene-1,4-dicarboxylate 
• 30240-00-7 2,5-dimethylbenzene-1,4-dicarbohydroxamic acid 

Relevant articles and documents

TROPANE COMPOUNDS

A compound according to Formula I or II: (I) or (II) wherein R1, R1b, R2, L1, and L2 and L2b are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

A Selective Receptor for Arginine Derivatives in Aqueous Media. Energetic Consequences of Salt Bridges That Are Highly Exposed to Water

Quantitative measures of salt-bridge-type interactions in a highly exposed aqueous environment have been obtained by modifying the well-studied cyclophane platform 1 to include carboxylates in close proximity to bound, cationic guests, producing hosts 2 and 3. Many guests show significantly enhanced binding to 2 and 3, but cations of the RNMe3+ type show little or no enhancement. We propose that the latter observations result from the fact that RNMe3+ compounds have very diffuse positive charges. Guests that show enhanced binding have focused regions of large, positive electrostatic potential. The highly charged 3 is able to bind very polar, very well-solvated guests, including a series of arginine-based dipeptides. Neutral, water-soluble host 4 was prepared and found to show a decreased affinity for cationic guests. We propose a novel induced dipole mechanism to rationalize these results.