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Pentadecanal
1-Pentadecanal · pentadecanal · Pentadecanal>1-Pentadecanone · 11-Butylundecanal · Pentadecanaldehyde · Pentadecanaldehyde Pentadecyl Aldehyde
Identifikatoren & physikalische Daten
| CAS No. | 2765-11-9 |
|---|---|
| Summenformel | C15H30O |
| Durchschnittliche Molmasse | 226,4 g/mol |
| Monoisotopische Masse | 226,22966558 g/mol |
| SMILES | CCCCCCCCCCCCCCC=O |
| InChIKey | XGQJZNCFDLXSIJ-UHFFFAOYSA-N |
| PubChem CID | 17697 |
| ChEMBL | CHEMBL5410059 |
| ChEBI | CHEBI:17302 |
| EC No. | 220-435-1 |
| DTXSID | DTXSID5062633 |
| Lokaler Name | Pentadecanal |
Chemische & physikalische Eigenschaften
| XLogP | 6,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 131 |
| Lipide | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 284.00 to 286.00 °C. @ 760.00 mm Hg183°C/23mmHg(lit.) |
| Schmelzpunkt | 24 - 25 °C25°C(lit.) |
| Physical Description | Solid |
| Dichte | 0.827 |
| Brechungsindex | 1.4428 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Off-White Semi-Solid |
| Farbe | White or Colorless to Almost white or Almost colorless |
| Geruch | Very faint, but delicately fresh-floral odor |
| Stabilität | Air Sensitive |
| LogP (Verteilungskoeffizient) | 6.518 (est) |
| EPA chemische Informationen | Pentadecanal (2765-11-9) |
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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pentadecanal |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2912.19.5000 |
Anwendungen & Verwendung
Verwenden
Pentadecanal only rarely offered from the regular manufacturers of perfume chemicals, is occasionally used in perfume compositions as pari of a floral base or part of a floral top note, aldehydic-green or aldehydic-fruity topnote. It blends excellently with Methylnonylacetaldehyde and has a mellowing effect upon that material, but in general, pentadecanal is dispensable in modem perfumery.