Dimethyl isophthalate

Product Information

Molecular Formula:
C10H10O4
Molecular Weight:
194.18
Description
Dimethyl isophthalate (CAS# 1459-93-4) is a common ingredient in polyester resins, and also used as a plasticizer.
Synonyms
dimethyl benzene-1,3-dicarboxylate
IUPAC Name
dimethyl benzene-1,3-dicarboxylate
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 ℃ / 2 mmHg
Melting Point
69 ℃
Flash Point
138ºC
Purity
> 99.0 % (GC)
Density
1.1477 g/cm3
Solubility
0.00 M;Slightly soluble in alcohol.;In water, 290 mg/L, temperature not specified
Appearance
White to almost white powder to crystal
Application
Used as a plasticizer, to make polyester resins, as a polyacrylate resin comonomer, and as a perfume fixative.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.5168 (20ºC)
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
LogP
1.25980
Vapor Pressure
93.7 mm Hg ( 208 °C)
Henry's Law Constant
6.14X10-8 amt-cu m/mol at 25 °C (est)
Decomposition
When heated to decomp it emits acrid smoke and fumes

Safety Information

Hazards
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P305+P351+P338, and P337+P313
Signal Word
Warning

Computed Properties

XLogP3
2.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
194.05790880 g/mol
Monoisotopic Mass
194.05790880 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
202
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

Patents

Publication Number Title Priority Date
CN-114182390-A Preparation method of easy-to-dye bio-based polyester-nylon composite fiber 2022-01-07
CN-114000226-A Preparation method of cationic dyeable flame-retardant high-strength polyester fiber 2021-12-31
CN-114000226-B Preparation method of cationic dyeable flame-retardant high-strength polyester fiber 2021-12-31
JP-2022027914-A Polyester film. 2021-12-15
CN-114085371-A Polyether polyol containing benzamide group, polyurethane foam and preparation method of polyether polyol 2021-11-30
JP-2022033837-A Multilayer laminated film, brightness improving member and polarizing plate using it 2021-11-29
CN-114057615-A High-temperature-resistant polymerizable antibacterial agent, preparation thereof and application thereof in synthesis of antibacterial polyester 2021-11-11
CN-113980258-A Antibacterial flame-retardant toughened multifunctional ionomer auxiliary agent and preparation method and application thereof 2021-11-10
CN-113980318-A Window film 2021-11-10
JP-2022010128-A Evaluation base material manufacturing method and evaluation base material manufacturing equipment 2021-11-08

Literatures

PMID Publication Date Title Journal
22222838 2012-01-01 Degradation of Phthalate Esters by Fusarium sp. DMT-5-3 and Trichosporon sp. DMI-5-1 Isolated from Mangrove Sediments Progress in molecular and subcellular biology
22482056 2012-01-01 The diversity of endophytic methylotrophic bacteria in an oil-contaminated and an oil-free mangrove ecosystem and their tolerance to heavy metals Biotechnology research international
22972336 2012-01-01 A novel alkaline esterase from Sporosarcina sp. nov. strain eSP04 catalyzing the hydrolysis of a wide variety of aryl-carboxylic acid esters Bioscience, biotechnology, and biochemistry
21626443 2011-11-01 Comparison of initial hydrolysis of the three dimethyl phthalate esters (DMPEs) by a basidiomycetous yeast, Trichosporon DMI-5-1, from coastal sediment Environmental science and pollution research international
21442535 2011-01-01 Release kinetics of β-cyfluthrin from its encapsulated formulations in water Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes
19462956 2009-06-17 Peripherally dimethyl isophthalate-functionalized poly(benzyl ether) dendrons: a new kind of unprecedented highly efficient organogelators Journal of the American Chemical Society
17462710 2007-08-01 Environmental fate of endocrine-disrupting dimethyl phthalate esters (DMPE) under sulfate-reducing condition The Science of the total environment
17258288 2007-07-15 Complete degradation of dimethyl isophthalate requires the biochemical cooperation between Klebsiella oxytoca Sc and Methylobacterium mesophilicum Sr Isolated from Wetland sediment The Science of the total environment
16850513 2006-09-25 Electrocarboxylation of benzyl halides through redox catalysis on the preparative scale Chemistry (Weinheim an der Bergstrasse, Germany)
16312973 2005-01-01 Biochemical pathway and degradation of phthalate ester isomers by bacteria Water science and technology : a journal of the International Association on Water Pollution Research
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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