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Heptadecan-1-ol
HEPTADECANOL · n-Heptadecanol · Heptadecan-1-ol · 1-Hydroxyheptadecane · HEPTADECYL ALCOHOL · SKL639 · ALCOHOL C17 · Heptsdecanol
Identifikatoren & physikalische Daten
| CAS No. | 1454-85-9 |
|---|---|
| Summenformel | C17H36O |
| Durchschnittliche Molmasse | 256,5 g/mol |
| Monoisotopische Masse | 256,27661577 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCO |
| InChIKey | GOQYKNQRPGWPLP-UHFFFAOYSA-N |
| PubChem CID | 15076 |
| ChEMBL | CHEMBL278989 |
| ChEBI | CHEBI:77470 |
| EC No. | 215-932-5 |
| DTXSID | DTXSID3051460 |
| Lokaler Name | Heptadecan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 7,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 134 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Boiling point |
| Aromastoffe | EU Flavoring substances |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Dampfdruck | 0.00000261 [mmHg] |
| Physical Description | Crystalline lump[Alfa Aesar MSDS] |
| Schmelzpunkt | 51-55 °C (lit.) |
| Siedepunkt | 308.5 °C |
| Dichte | 0.836 |
| Brechungsindex | 1.4324 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | chloroform: soluble50mg/mL, clear, colorless<=25.6ug/L(25 ºC) |
| Aggregatzustand | Crystalline Powder or Crystals |
| pKa (Säurekonstante) | 15.20±0.10(Predicted) |
| Farbe | White to almost white |
| BRN | 1702195 |
| Henry-Konstante | 4.5×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChIKey | GOQYKNQRPGWPLP-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 7.462 (est) |
| CAS Datenbank | 1454-85-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Heptadecanol (1454-85-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95.8% (92 of 96) of all reports.Not ClassifiedAggregated GHS information provided per 96 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Heptadecanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See 1-Docosanol. |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29051990 |
| RTECS-Nr. | MI3900000 |
| R-Sätze (R) | 36/38 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
Organic synthesis, plasticizer, intermediates, perfume fixatives, soaps and cosmetics, manufacture of wetting agents and detergents.