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Tridecan-7-on
Tridecanone · tridecan-7-one · ENANTHONE · NSC 77941 · hexylketone · Hexyl ketone · 7-decatrione · 7-TRIDECANONE
Identifikatoren & physikalische Daten
| CAS No. | 462-18-0 |
|---|---|
| Summenformel | C13H26O |
| Durchschnittliche Molmasse | 198,34 g/mol |
| Monoisotopische Masse | 198,19836545 g/mol |
| SMILES | CCCCCCC(=O)CCCCCC |
| InChIKey | ULIAPOFMBCCSPE-UHFFFAOYSA-N |
| PubChem CID | 10015 |
| EC No. | 207-324-3 |
| DTXSID | DTXSID8022034 |
| Lokaler Name | Tridecan-7-on |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 115 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 30-32.5 °C(lit.) |
| Siedepunkt | 264 °C(lit.) |
| Dichte | 0.825 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.4357 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Light yellow |
| Geruch | at 100.00%. may blossom |
| InChI | InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | ULIAPOFMBCCSPE-UHFFFAOYSA-N |
| SMILES | CCCCCCC(=O)CCCCCC |
| LogP (Verteilungskoeffizient) | 5.053 (est) |
| CAS Datenbank | 462-18-0(CAS DataBase Reference) |
| EPA chemische Informationen | 7-Tridecanone (462-18-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914.19.0000 |
| RTECS-Nr. | YD4577000 |
| Toxizität | LDLo ivn-mus: 3511 mg/kg APTOA6 37,56,75 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
7-Tridecanone is an isomer of 2-Tridecanone which is a flavor component of many food products. 7-Tridecanone, however, is much less distributed. It is also used to study the toxicity of narcotic industrial chemicals.