Introduction：Basic information about CAS 636-53-3|Diethyl isophthalate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Diethyl isophthalate |
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| CAS Number | 636-53-3 | Molecular Weight | 222.237 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 302.0±10.0 °C at 760 mmHg |
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| Molecular Formula | C12H14O4 | Melting Point | 11.5ºC |
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| MSDS | / | Flash Point | 157.7±8.5 °C |
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Names
| Name | Diethyl isophthalate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 302.0±10.0 °C at 760 mmHg |
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| Melting Point | 11.5ºC |
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| Molecular Formula | C12H14O4 |
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| Molecular Weight | 222.237 |
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| Flash Point | 157.7±8.5 °C |
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| Exact Mass | 222.089203 |
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| PSA | 52.60000 |
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| LogP | 3.51 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.508 |
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| InChIKey | JLVWYWVLMFVCDI-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)c1cccc(C(=O)OCC)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NT2500000
- CHEMICAL NAME :
- Isophthalic acid, diethyl ester
- CAS REGISTRY NUMBER :
- 636-53-3
- BEILSTEIN REFERENCE NO. :
- 2052705
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H14-O4
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1111 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity)
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,1446,1967
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2917399090 |
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Customs
| HS Code | 2917399090 |
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| Summary | 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| Diethyl isophthalate |
| diethyl benzene-1,3-dicarboxylate |
| 1,3-Benzenedicarboxylic acid, diethyl ester |
