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Dimethylheptandioat
DIMETHYL HEPTANEDIOATE · C9H16O4 · DIMETHYL PIMELATE · Dimethyl pyrromate · DimethylPimelate>Dimethyl pimelate 99% · Dimethyl pimelate,97% · Pimelic acid dimethyl · DIMETHYL HEPTANE DIONATE
Identifikatoren & physikalische Daten
| CAS No. | 1732-08-7 |
|---|---|
| Summenformel | C9H16O4 |
| Durchschnittliche Molmasse | 188,22 g/mol |
| Monoisotopische Masse | 188,10485899 g/mol |
| SMILES | COC(=O)CCCCCC(=O)OC |
| InChIKey | SHWINQXIGSEZAP-UHFFFAOYSA-N |
| PubChem CID | 74416 |
| EC No. | 217-057-4 |
| DTXSID | DTXSID8061925 |
| Lokaler Name | Dimethylheptandioat |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 147 |
| SpringerMaterials Properties | Density |
| LogP (Verteilungskoeffizient) | 1.38 |
| Schmelzpunkt | -21°C |
| Siedepunkt | 121-122 °C/11 mmHg (lit.) |
| Dichte | 1.041 g/mL at 25 °C (lit.) |
| Dampfdruck | 6.13Pa at 25℃ |
| Brechungsindex | n20/D 1.431(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.041 |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Soluble in ethanol, benzene, ether. Slightly soluble in water. |
| BRN | 1777309 |
| InChI | 1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3 |
| InChIKey | SHWINQXIGSEZAP-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCCCC(=O)OC |
| LogP (Verteilungskoeffizient) | 1.4 at 25℃ |
| CAS Datenbank | 1732-08-7(CAS DataBase Reference) |
| EPA chemische Informationen | Heptanedioic acid, dimethyl ester (1732-08-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Regulatorische Informationen | Status: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23740 |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2917.19.7050 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
Dimethyl pimelate (DMP) is valued as an important intermediate in pharmaceuticals, perfumes, lubricants, and other organic compounds. It was usually obtained by esterification from pimelic acid with alcohols[1].
Verwenden
Dimethyl pimelate was used as the internal standard in the analysis of phthalates, sebacates, epoxidized soybean oil (ESBO) and polyadipates after transesterification to the ethyl esters.