ChemicalBook--->CAS DataBase List--->1459-93-4

1459-93-4

1459-93-4 Structure

1459-93-4 Structure
IdentificationMore
[Name]

Dimethyl isophthalate
[CAS]

1459-93-4
[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
[EINECS(EC#)]

215-951-9
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00008433
[Molecular Weight]

194.18
[MOL File]

1459-93-4.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[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 ProductsBack Directory
[Raw materials]

Isophthalic acid-->3-Carboxybenzaldehyde-->methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate-->Dimethyl 5-iodoisophthalate-->Methyl 3-chlorobenzoate-->Methanol
[Preparation Products]

polyester-based liquid crystalling ionmer containing sulfonate group-->Methyl 3-formylbenzoate-->Isophthaloyl dichloride-->Diphenyl isophthalate-->Dimethyl 5-bromoisophthalate-->1,3-Bis(chloromethyl)benzene-->Dimethyl 5-aminoisophthalate-->2-(3-(methoxycarbonyl)phenyl)acetic acid-->3,5-Bis(methoxycarbonyl)phenylboronic acid pinacol ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dimethyl isophthalate(1459-93-4).msds
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethyl isophthalate(1459-93-4)MS
Dimethyl isophthalate(1459-93-4)1HNMR
Dimethyl isophthalate(1459-93-4)13CNMR
Dimethyl isophthalate(1459-93-4)IR1
Dimethyl isophthalate(1459-93-4)IR2
Dimethyl isophthalate(1459-93-4)IR3
Dimethyl isophthalate(1459-93-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dimethyl isophthalate, 99%(1459-93-4)
[Alfa Aesar]

Dimethyl isophthalate, 98%(1459-93-4)
[Sigma Aldrich]

1459-93-4(sigmaaldrich)
[TCI AMERICA]

Dimethyl Isophthalate,>99.0%(GC)(1459-93-4)
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