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
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 / 2 mmHg
Melting Point
69 °C
Flash Point
138°C
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 (20°C)
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.
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 |
