CAS 120-61-6 Dimethyl terephthalate - Materials / Alfa Chemistry

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Dimethyl terephthalate

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Catalog Number

ACM120616-1

CAS Number

120-61-6

Product Name

Dimethyl terephthalate

Structure

Category

Pressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes

Synonyms

1,4-Benzenedicarboxylic acid, dimethyl ester;Terephthalic Acid Dimethyl Ester;DiMethyl Terephthalate;dimethyl benzene-1,4-dicarboxylate;

Description

Dimethyl terephthalate (DMT) is an organic compound with the formula C6H4(CO2CH3)2. It is the diester formed from terephthalic acid and methanol. It is a White solid that melts to give a distillable Colorless liquid.

IUPAC Name

Dimethyl benzene-1,4-dicarboxylate

Molecular Weight

194.18

Molecular Formula

C10H10O4

Canonical SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3

InChI Key

WOZVHXUHUFLZGK-UHFFFAOYSA-N

Boiling Point

288 °C

Melting Point

140-143ºC

Flash Point

154ºC

Purity

99%

Density

1.29

Solubility

less than 1 mg/mL at 55° F (NTP, 1992);9.78e-05 M;Soluble in ether and hot alcohol;Soluble in chloroform; slightly soluble in ethanol. methanol;0.3 G/ML IN HOT WATER;In water, 19 mg/L at 25 °C;Solubility in water at 13 °C: very poor

Appearance

White chunks

Application

Dimethyl terephthalate (DMT) serves as a versatile and essential component in the production of polyesters and industrial plastics. As a diester formed from the condensation of terephthalic acid and methanol, DMT is deployed in manufacturing polyethylene terephthalate (PET) and poly trimethylene terephthalate, both of which are crucial materials in various applications. The compound is characterized by its structure of benzene substituted with methyl ester groups at the 1 and 4 positions, lending it specific chemical properties suitable for multiple industrial processes. Moreover, due to its volatility, DMT plays a significant role as an intermediate in recycling processes, including PET recycling from plastic bottles. It can be hydrogenated to produce cyclohexanedimethanol, another valuable monomer. Additionally, DMT engages in transesterification and polycondensation reactions, contributing to the synthesis of advanced materials like silicone aromatic polyesters and complex copolymers. Overall, dimethyl terephthalate's properties and reactivity make it indispensable in the creation and recycling of various polyester-based products.

Color/Form

Colorlesss crystals;NEEDLES FROM ETHER

Complexity

192

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

204-411-8

Exact Mass

194.0579088

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

0262

Isotope Atom Count

Log P

1.25980

MDL Number

MFCD00008440

MeSH Entry Terms

dimethyl 4-phthalate;dimethyl p-phthalate;dimethyl terephthalate;dimethylterephthalate

Monoisotopic Mass

194.0579088

NSC Number

3503

Other Experimental

Sublimes above 300 °C;Liquid molar volume = 0.180564 cu m/kmol (determined at triple point);Heat of fusion at melting point = 3.1630X10+7 J/kmol;VAPOR PRESSURE = 16 MM HG @ 100 °C;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Henry's Law constant = 1.34X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 5.74X10-13 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.4752

Rotatable Bond Count

RTECS Number

WZ1225000

Stability

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents.

Topological Polar Surface Area

52.6 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII