Dimethyl isophthalate - CAS 1459-93-4

Catalog:	BB010026
Product Name:	Dimethyl isophthalate
CAS:	1459-93-4
Synonyms:	dimethyl benzene-1,3-dicarboxylate
Application:	Used as a plasticizer, to make polyester resins, as a polyacrylate resin comonomer, and as a perfume fixative.

Technical Data

IUPAC Name:	dimethyl benzene-1,3-dicarboxylate
Description:	Dimethyl isophthalate (CAS# 1459-93-4) is a common ingredient in polyester resins, and also used as a plasticizer.
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 / 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
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomp it emits acrid smoke and fumes
MDL:	MFCD00008433
LogP:	1.25980
Refractive Index:	1.5168 (20°C)
Stability:	Stable at room temperature in closed containers under normal storage and handling conditions.
Vapor Pressure:	93.7 mm Hg ( 208 °C)

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113501945-A	High-strength high-toughness high-barrier random copolyester and preparation method thereof	20210728
CN-113318471-A	Method and system for treating xylene oxidation reaction liquid	20210708
CN-113429551-A	Low-melting-point thermoplastic polyester elastomer and preparation method thereof	20210629
CN-113264900-A	Preparation method and medical application of benzisothiazole and benzothiophene	20210607
CN-113308036-A	Preparation process of polymer plastic film	20210507

PMID	Publication Date	Title	Journal
22222838	20120101	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	20120101	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	20120101	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	20111101	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	20110101	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

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05790880
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.05790880
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2