ChemicalBook CAS DataBase List 1459-93-4

1459-93-4

Name	Dimethyl isophthalate
CAS	1459-93-4
EINECS(EC#)	215-951-9
Molecular Formula	C10H10O4
MDL Number	MFCD00008433
Molecular Weight	194.18
MOL File	1459-93-4.mol

Synonyms

DIMETHYL 1,3 BENZENEDICARBOXYLATE DIMETHYL BENZENE-1,3-DICARBOXYLATE DIMETHYLBENZENE-1,3-DIMETHANOATE DIMETHYL ISOPHTHALATE ISOPHTHALIC ACID, BIS-METHYL ESTER ISOPHTHALIC ACID DIMETHYL ESTER METHYL ISOPHTHALATE RARECHEM AL BF 0071 1,3-Benzenedicarboxylicacid,dimethylester ai3-02247 Dimethyl m-phthalate dimethylesterkyselinytereftalove(czech) Dimethylios-phthalate dimethylm-phthalate Methyl 3-(carbomethoxy)benzoate methyl3-carbomethoxybenzoate Morflex 1129 Uniplex 270 Benzene-1,3-dicarboxylic acid dimethyl ester m-Phthalic acid dimethyl

Chemical Properties

Appearance	white to off-white flakes or crystalline powder
Melting point	64-68 °C (lit.)
Boiling point	124 °C (12.0016 mmHg)
density	1.1477
vapor density	6.8 (vs air)
vapor pressure	93.7 mm Hg ( 208 °C)
refractive index	1.5168 (estimate)
Fp	138 °C
storage temp.	Sealed in dry,Room Temperature
solubility	0.29g/l insoluble
form	Flakes or Crystalline Powder
pka	-5.32[at 20 ℃]
color	White to off-white
Water Solubility	Insoluble
BRN	1912251
Henry's Law Constant	1.6×10² mol/(m³Pa) at 25℃, HSDB (2015)
InChI	1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChIKey	VNGOYPQMJFJDLV-UHFFFAOYSA-N
SMILES	COC(=O)c1cccc(c1)C(=O)OC
LogP	2.1 at 20℃
CAS DataBase Reference	1459-93-4(CAS DataBase Reference)
NIST Chemistry Reference	1,3-Benzenedicarboxylic acid dimethyl ester(1459-93-4)
EPA Substance Registry System	1459-93-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H319
Precautionary statements	P264-P280-P305+P351+P338-P337+P313
Hazard Codes	Xi
Risk Statements	R36:Irritating to the eyes. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
WGK Germany	3
RTECS	NT2540000
TSCA	Yes
REACH Registrations	Active
HS Code	29173980
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2
Hazardous Substances Data	1459-93-4(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Chemical Properties

white to off-white flakes or crystalline powder

Uses

Dimethyl isophthalate may be used as an internal standard for determining, dimethyl-tere-phthalate (DMtP), dimethyl-phthalate (DMP), diethyl phthalate (DEP) in soil samples and biosolids using gas-chromatography coupled to mass spectrometry (GC-MS). It may also be used as an analytical reference standard for the quantification of the analyte in complex matrices including plastics, cosmetics, and environmental samples using gas chromatography coupled to positive chemical ionization mass spectrometry (GC-CIMS).

Uses

Dimethyl isophthalate was used in the synthesis of:

polybutylene isophthalate end-capped with N-ethyl-pentadecafluorooctanamide
poly(ethylene terephthalate-co-isophthalate-co-5-tert-butylisophthalate) terpolyesters

Application

Dimethyl isophthalate was used in the synthesis of:
polybutylene isophthalate end-capped with N-ethyl-pentadecafluorooctanamide.
poly(ethylene terephthalate-co-isophthalate-co-5-tert-butylisophthalate) terpolyesters.
Polyesters containing sulfonate groups were prepared from dimethyl isophthalate, BD and 5SIPNa by the usual two-stage crystallization.

Preparation

Dimethyl isophthalate is synthesized by esterifying isophthalic acid with methanol: Isophthalic acid (1.66gm, 0.1mmol) in super dry methanol (60mL) containing 2-3 drops of concentrated H2SO4 (AR) was refluxed till it dissolved. Then, the reaction mixture was poured onto ice cold water, immediately a solid started separating from the clear solution. To this a solution of sodium bicarbonate was added till the effervescence seized. The ester thus obtained was filtered and washed with water for several times (M.P: 64-67°C).

Synthesis Reference(s)

Tetrahedron Letters, 33, p. 1959, 1992 DOI: 10.1016/0040-4039(92)88113-J

General Description

Dimethyl isophthalate is dimethyl phthalate ester based plasticizer.

Flammability and Explosibility

Nonflammable

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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