HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hexadecanal
n-Hexadecanal · 1-Hexadecanal · 16CHO · Hexadecal · N-hexadecal · 16:0 aldehyde · Hexadecanal>Palmitinaldehyde · n-Hexadecan-1-al
Identifikatoren & physikalische Daten
| CAS No. | 629-80-1 |
|---|---|
| Summenformel | C16H32O |
| Durchschnittliche Molmasse | 240,42 g/mol |
| Monoisotopische Masse | 240,24531564 g/mol |
| SMILES | CCCCCCCCCCCCCCCC=O |
| InChIKey | NIOYUNMRJMEDGI-UHFFFAOYSA-N |
| PubChem CID | 984 |
| ChEMBL | CHEMBL1235338 |
| ChEBI | CHEBI:17600 |
| EC No. | 211-111-0 |
| DTXSID | DTXSID5042039 |
| Lokaler Name | Hexadecanal |
Chemische & physikalische Eigenschaften
| XLogP | 7,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 142 |
| Stoffklassen | Other Classes -> Aldehydes |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| SpringerMaterials Properties | Boiling point |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | 35 °C36-38C |
| Physical Description | Solid |
| Collision Cross Section | 163.36 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Siedepunkt | 151°C/2mmHg(lit.) |
| Dichte | 0.8264 (estimate) |
| Brechungsindex | 1.4456 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | DMF: 30 mg/mlDMSO: 10 mg/mlEthanol: 30 mg/mlEthanol:PBS (pH 7.2)(1:2): 0.3 mg/ml |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Geruch | at 100.00%. cardboard |
| Stabilität | Air Sensitive, Hygroscopic, Moisture Sensitive |
| InChI | 1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3 |
| InChIKey | NIOYUNMRJMEDGI-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCC([H])=O |
| LogP (Verteilungskoeffizient) | 7.027 (est) |
| EPA chemische Informationen | Hexadecanal (629-80-1) |
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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: HexadecanalCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Gefahrenübersicht | See ALDEHYDES. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2912.19.5000 |
| RTECS-Nr. | ML8200000 |
| Gefahrenklasse | Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Hexadecanal is used in the production of lipid and fatty acids.