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1459-93-4

Basic Information
CAS No.: 1459-93-4
Name: Dimethyl isophthalate
Article Data: 97
Cas Database
Molecular Structure:
Molecular Structure of 1459-93-4 (Dimethyl isophthalate)
Formula: C10H10O4
Molecular Weight: 194.187
Synonyms: 1,3-Benzenedicarboxylicacid, dimethyl ester (9CI);Isophthalic acid, dimethyl ester (6CI,8CI);1,3-Di(methoxycarbonyl)benzene;Dimethyl 1,3-benzenedicarboxylate;Dimethyl m-phthalate;Methyl 3-carbomethoxybenzoate;Morflex 1129;NSC 15313;
EINECS: 215-951-9
Density: 1.175 g/cm3
Melting Point: 64-68 °C
Boiling Point: 285 °C at 760 mmHg
Flash Point: 148 °C
Solubility: insoluble in water
Appearance: white to off-white flakes or crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26-36
Transport Information: N/A
PSA: 52.60000
LogP: 1.25980
Synthetic route
67-56-1

methanol

121-91-5

isophthalic acid

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
With boron trifluoride at 65℃; for 0.333333h;100%
With thionyl chloride at 20℃; for 72h;95.7%
With 4-methyl-morpholine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride for 3h;92%
75-44-5

phosgene

121-91-5

isophthalic acid

A

1459-93-4

dimethyl Isophthalate

B

99-63-8

benzene-1,3-dicarbonyl dichloride

Conditions
ConditionsYield
With pyridine In dichloromethaneA n/a
B 100%
1283160-97-3

dimethyl 5-pivaloxyisophthalate

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel(0); (dimethoxy)methylsilane; tricyclohexylphosphine In toluene at 80℃; for 12h; Inert atmosphere;99%
67-56-1

methanol

881-99-2

1,3-bis-trichloromethyl-benzene

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
at 20℃; for 6h; UV-irradiation;99%
51839-15-7

5-iodo-isophthalic acid dimethyl ester

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
With Ac-Cys-OMe; bismuth(III) oxide; N-ethyl-N,N-diisopropylamine In dichloromethane for 48h; Irradiation;96%
51760-21-5

dimethyl 5-bromoisophthalate

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
With formic acid; tributyl-amine; 10-phenyl-10H-phenothiazine In acetonitrile at 20℃; for 24h; Inert atmosphere; UV-irradiation;94%
67-56-1

methanol

201230-82-2

carbon monoxide

141694-38-4

3-Fluorosulfonyloxy-benzoic acid methyl ester

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
With triethylamine; palladium diacetate; 1,3-bis-(diphenylphosphino)propane In dimethyl sulfoxide under 760 Torr; a) room temperature, 15 min, b) 60 deg C, 2 h;92%
67-56-1

methanol

626-19-7

Isophthalaldehyde

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
With Oxone; indium(III) triflate for 1.5h; Reflux;92%
With Oxone at 60℃; for 0.666667h; Sonication;90%
Stage #1: methanol; Isophthalaldehyde With pyridine at 20℃; for 0.0833333h;
Stage #2: With N-Bromosuccinimide at 20℃; for 9h;
100 %Chromat.
585524-77-2

3-(5,5-dimethyl-1,3,2-dioxaborinanyl)-1-methoxycarbonylbenzene

24424-99-5

di-tert-butyl dicarbonate

74-88-4

methyl iodide

1459-93-4

dimethyl Isophthalate

Conditions
ConditionsYield
Stage #1: 3-(5,5-dimethyl-1,3,2-dioxaborinanyl)-1-methoxycarbonylbenzene; di-tert-butyl dicarbonate With 4,4'-dimethyl-2,2'-bipyridines; lithium methanolate; copper(l) chloride In N,N-dimethyl acetamide at 30℃; for 6h; Inert atmosphere; Schlenk technique;
Stage #2: methyl iodide In N,N-dimethyl acetamide at 30℃; for 2h; Schlenk technique;
91%
67-56-1

methanol

626-19-7

Isophthalaldehyde

A

1459-93-4

dimethyl Isophthalate

B

619-21-6

m-formylphenyl benzoic acid

Conditions
ConditionsYield
With dihydrogen peroxide at 20 - 70℃; for 15h; Green chemistry;A 90%
B 8%
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    Product name: Dimethyl Isophthalate CAS No.:1459-93-4 Molecule Formula:C10H10O4 Molecule Weight:194.18 Purity: 99.0% Package: 25kg/drum Description:White flake solid Manufacture Standards:Enterprise Standard TESTING ITEMS

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Chemistry

Molecular Structure of Isophthalic acid dimethyl ester (CAS NO.1459-93-4):

Molecular Formula: C10H10O4
Molecular Weight: 194.184
IUPAC Name: Dimethyl benzene-1,3-dicarboxylate
Synonyms of Isophthalic acid dimethyl ester (CAS NO.1459-93-4): 1,3-Benzenedicarboxylic acid, dimethyl ester ; 4-09-00-03293 (Beilstein Handbook Reference) ; AI3-02247 ; BRN 1912251 ; Dimethyl 1,3-benzenedicarboxylate ; Dimethyl isophthalate ; Dimethyl m-phthalate ; Dimethylester kyseliny isoftalove ; Dimethylester kyseliny isoftalove [Czech] ; EINECS 215-951-9 ; HSDB 6138 ; Isophthalic acid dimethyl ester ; Methyl 3-(carbomethoxy)benzoate ; Methyl isophthalate ; Morflex 1129 ; NSC 15313 ; 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
CAS NO: 1459-93-4
Classification Code: Skin / Eye Irritant
Melting point: 64-68 °C
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.514
Molar Refractivity: 49.79 cm3
Molar Volume: 165.2 cm3
Surface Tension: 40.5 dyne/cm
Density of Isophthalic acid dimethyl ester (CAS NO.1459-93-4): 1.175 g/cm3
Flash Point: 148 °C
Enthalpy of Vaporization: 52.4 kJ/mol
Boiling Point: 285 °C at 760 mmHg
Vapour Pressure: 0.00288 mmHg at 25°C

Uses

 Isophthalic acid dimethyl ester (CAS NO.1459-93-4) is synthesis of phthalates, as diphenyl-resistant polymer monomers PBT, other organic synthesis, for stationary liquid.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 971mg/kg (971mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes of Isophthalic acid dimethyl ester (CAS NO.1459-93-4): IrritantXi
Risk Statements: 36 
R36: Irritating to eyes.
Safety Statements: 26-36 
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
HS Code: 29173980
Hazardous Substances Data: 1459-93-4(Hazardous Substances Data)
Moderately toxic by intraperitoneal route. An eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.