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Dodecan-1,12-diol
DODECANE-1,12-DIOL · DODECAMETHYLENE GLYCOL · Dodecan-1,12-diol · 1,12-DODECANEDIOL · 10,12-Dodecanediol · 1,12-Dodecyl Glycol · DodecaMethylene diol · 1,12-Dodecanediol>DODECAMETHYLENE GLYCO
Identifikatoren & physikalische Daten
| CAS No. | 5675-51-4 |
|---|---|
| Summenformel | C12H26O2 |
| Durchschnittliche Molmasse | 202,33 g/mol |
| Monoisotopische Masse | 202,19328007 g/mol |
| SMILES | OCCCCCCCCCCCCO |
| InChIKey | GHLKSLMMWAKNBM-UHFFFAOYSA-N |
| PubChem CID | 79758 |
| ChEMBL | CHEMBL17440 |
| ChEBI | CHEBI:228137 |
| EC No. | 227-133-9 |
| DTXSID | DTXSID1074919 |
| Lokaler Name | Dodecan-1,12-diol |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 82,3 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Physical Description | Colorless crystalline solid[Aldrich MSDS] |
| Schmelzpunkt | 79-81 °C (lit.) |
| Siedepunkt | 189 °C/12 mmHg (lit.) |
| Dichte | 0.9216 (rough estimate) |
| Dampfdruck | 0Pa at 20℃ |
| Brechungsindex | 1.4656 (estimate) |
| Flammpunkt | 176°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | <1g/lSoluble in alcohol and warm ether. Insoluble in water and petroleum ether. |
| pKa (Säurekonstante) | 14.90±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Orange to red to brown |
| BRN | 1742760 |
| InChI | 1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2 |
| InChIKey | GHLKSLMMWAKNBM-UHFFFAOYSA-N |
| SMILES | OCCCCCCCCCCCCO |
| LogP (Verteilungskoeffizient) | 3.1 at 20℃ |
| CAS Datenbank | 5675-51-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,12-Dodecanediol(5675-51-4) |
| EPA chemische Informationen | 1,12-Dodecanediol (5675-51-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 61.1% (11 of 18) of all reports.H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 15-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/234281,12-Dodecanediol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Aldrich MSDS] See 1-Dodecanol. |
| Hazard Classes and Categories | Aquatic Chronic 3 (33.3%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29053990 |
| Sicherheitshinweise (S) | 22 |
| Lagerklasse | 11 - Combustible Solids |
| Selbstentzündungstemperatur | 300 °C |
Anwendungen & Verwendung
Verwenden
1,12-Dodecanediol is used in the polyester polyols for polyurethanes, coatings and inks, adhesives, lastomers, polyesters and co polyesters, polymer cross linkers, pharmaceutical intermediates, fragrances.