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10,12-Pentacosadiynoic acid
Pentacosa-10,12-diynoic acid · SKL130 · DA 3261 · TIMTEC-BB SBB009109 · 10,12-Pentacosadiynoicaci · 10,12-PENTACOSADIYNOIC ACID · 10,12-Pentacosadiynioic acid · 10,12-PentacosadiynoicAcid>10,12-PENTACOSADIYNOIC ACID, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 66990-32-7 |
|---|---|
| Summenformel | C25H42O2 |
| Durchschnittliche Molmasse | 374,6 g/mol |
| Monoisotopische Masse | 374,31848058 g/mol |
| SMILES | CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O |
| InChIKey | ZPUDRBWHCWYMQS-UHFFFAOYSA-N |
| PubChem CID | 538433 |
| EC No. | 614-006-1 |
| DTXSID | DTXSID20337082 |
Chemische & physikalische Eigenschaften
| XLogP | 9,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 19 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 466 |
| Schmelzpunkt | 62-63°C |
| Siedepunkt | 522.5±33.0 °C(Predicted) |
| Dichte | 0.930±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Gray to Dark blue |
| Löslichkeit | Slightly soluble in water. |
| BRN | 4189973 |
| InChI | 1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27) |
| InChIKey | ZPUDRBWHCWYMQS-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O |
| CAS Datenbank | 66990-32-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.WarningH315 (98.9%): 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 88 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2916199590 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
10,12-Pentacosadiynoic Acid is used in the preparation of colorimetric and fluorescence sensors for cationic surfactants.