HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Docosanedioic acid
N-DOCOSANOIC ACID · DOCOSANEDIOIC ACID · DICARBOXYLIC ACID C22 · C22 · Cork protoacid · Phellogenic acid · C22:0 FATTY ACID · Docosandioic acid
Identifikatoren & physikalische Daten
| CAS No. | 505-56-6 |
|---|---|
| Summenformel | C22H42O4 |
| Durchschnittliche Molmasse | 370,6 g/mol |
| Monoisotopische Masse | 370,30830982 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | DGXRZJSPDXZJFG-UHFFFAOYSA-N |
| PubChem CID | 244872 |
| ChEBI | CHEBI:76319 |
| EC No. | 624-095-9 |
| DTXSID | DTXSID20198519 |
Chemische & physikalische Eigenschaften
| XLogP | 8,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 21 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 296 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117] |
| Schmelzpunkt | 72-80 °C(lit.) |
| Siedepunkt | 306 °C (60 mmHg) |
| Dichte | 0.9733 (rough estimate) |
| Brechungsindex | 1.4433 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.48±0.10(Predicted) |
| Farbe | White |
| BRN | 1801600 |
| InChI | InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26) |
| InChIKey | DGXRZJSPDXZJFG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCCCCCCCCCCCC(O)=O |
| CAS Datenbank | 505-56-6(CAS DataBase Reference) |
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2917198090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Docosanedioic Acid is a Suberin fatty acid.