CAS 1459-93-4 Dimethyl isophthalate - Materials / Alfa Chemistry

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Dimethyl isophthalate

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Catalog Number

ACM1459934-1

CAS Number

1459-93-4

Product Name

Dimethyl isophthalate

Structure

Category

Plastic Additives; Plasticizers

Synonyms

Uniplex 270;Methyl ISOPHTHALATE;RARECHEM AL BF 0071;Dimethyl m-phthalate;1,3-Benzenedicarboxylic acid, dimethyl ester

Description

Dimethyl isophthalate is a common ingredient in polyester resins, and also used as a plasticizer.

IUPAC Name

Dimethyl benzene-1,3-dicarboxylate

Molecular Weight

194.18

Molecular Formula

C10H10O4

Canonical SMILES

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

InChI

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

InChI Key

VNGOYPQMJFJDLV-UHFFFAOYSA-N

Boiling Point

124 °C

Melting Point

66-69ºC

Flash Point

138ºC

Purity

99%

Density

1.1477

Solubility

0.00 M;Slightly soluble in alcohol.;In water, 290 mg/L, temperature not specified

Appearance

White flaky

Color/Form

Needles from dilute alcohol;... Solid at room temperature.

Complexity

202

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

215-951-9

Exact Mass

194.0579088

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

1.25980

MDL Number

MFCD00008433

Monoisotopic Mass

194.0579088

NSC Number

15313

Other Experimental

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 = 6.14X10-8 amt-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 6.36X10-13 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.5168 (20ºC)

Rotatable Bond Count

Stability

Stable at room temperature in closed containers under normal storage and handling conditions.

Storage Conditions

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Topological Polar Surface Area

52.6 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII