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

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