METHYL ISOPHTHALATE
Dimethyl isophthalate
CAS: 1459-93-4
Molecular Formula: C10H10O4
METHYL ISOPHTHALATE - Names and Identifiers
METHYL ISOPHTHALATE - Physico-chemical Properties
| Molecular Formula | C10H10O4 |
| Molar Mass | 194.18 |
| Density | 1.1477 |
| Melting Point | 64-68 °C (lit.) |
| Boling Point | 124 °C (12.0016 mmHg) |
| Flash Point | 138 °C |
| Water Solubility | Insoluble |
| Solubility | 0.29g/l insoluble |
| Vapor Presure | 93.7 mm Hg ( 208 °C) |
| Vapor Density | 6.8 (vs air) |
| Appearance | White crystal |
| Color | White to off-white |
| BRN | 1912251 |
| pKa | -5.32[at 20 ℃] |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5168 (estimate) |
| MDL | MFCD00008433 |
| Physical and Chemical Properties | density 1.1477 melting point 66-69°C boiling point 124°C (12 mmHg) flash point 138°C water-soluble Insoluble |
| Use | For the synthesis of diphenyl isophthalate, as a monomer of PBT heat-resistant polymer, for other organic synthesis |
METHYL ISOPHTHALATE - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36 - Irritating to the eyes |
| Safety Description | 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 |
| HS Code | 29173980 |
METHYL ISOPHTHALATE - Reference Information
| LogP | 2.1 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | dimethyl isophthalate is a white needle crystal, soluble in methanol, ethanol, insoluble in water, used for organic synthesis, as a fixed plate for gas chromatography. Dimethyl isophthalate is obtained by esterification of isophthalic acid and methanol. |
| preparation method | weigh 0.30mol isophthalic acid, add it to a 500mL three-mouth bottle containing 0.84mol thionyl chloride, add 0.45gDMF under stirring, and carry out reflux reaction at a pressure of 93300 ~ 97320Pa and 50~80 ℃. hydrogen chloride in tail gas is absorbed by water, and sulfur dioxide is absorbed by saturated sodium carbonate solution. After the reaction liquid is changed from milky white turbid liquid to light yellow clear liquid, the excess thionyl chloride is recovered at a negative pressure of 90660 ~ 96000Pa after reheating for 0.5h to obtain light yellow isophthaloyl chloride solution. At 50 ℃ and a certain negative pressure, the synthesized isophthaloyl chloride is gradually added to a 500mL three-mouth bottle with stirring containing excess methanol. After the addition is completed, the reaction is continued to be heated to 60-80 ℃ for 0.5h until no bubbles are generated. The excess methanol is recovered at a negative pressure of 90660-96000Pa to obtain a light yellow solution. The distillation device was used instead, and distillation was carried out under negative pressure of 666~1333Pa. Fractions between 120~125 ℃ were collected to obtain colorless, clear and transparent liquid. After cooling, it was 53g white crystal with 91% yield. Purity (GC)99.92%; M. p.67.5 ~ 68.2 ℃;IR(KBr,v/cm-1):2960,1728,1440,1290,1249,726;1HNMR(500MHz,CDCl3),δ:3.95(s,6H),7.53(t,J = 7.8Hz,1H),8.22(d,J = 7.8Hz,2H),8.68(s,1H). |
| use | used to synthesize diphenyl isophthalate, as a monomer of PBT heat-resistant polymer, and also used in other organic synthesis used to synthesize diphenyl isophthalate, as a monomer of PBT heat-resistant polymer, used in other organic synthesis, as a gas chromatography stationary liquid. |
| production method | obtained by esterification of isophthalic acid and methanol. Stir and heat isophthalic acid, methanol and sulfuric acid, and reflux for 20 hours. After the reaction, the methanol is recovered, the reactants are neutralized with sodium carbonate solution to a pH value of 7-8, filtered and dried to obtain the finished product. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:21:28
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