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Hexadecylchlorformiat
CETYL CHLOROFORMATE · Palmityl chloroformate · HEXADECYL CHLOROFORMATE · ChloroforMate cetyl ester · HEXADECYL CHLOROCARBONATE · n-Hexadecyl chloroformate · ? Chloro hexadecyl formate · Hexadecyl carbonochloridate
Identifikatoren & physikalische Daten
| CAS No. | 26272-90-2 |
|---|---|
| Summenformel | C17H33ClO2 |
| Durchschnittliche Molmasse | 304,9 g/mol |
| Monoisotopische Masse | 304,216908 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)Cl |
| InChIKey | HOQUWXSARQBQCW-UHFFFAOYSA-N |
| PubChem CID | 97633 |
| EC No. | 247-578-2 |
| DTXSID | DTXSID9067194 |
| Lokaler Name | Hexadecylchlorformiat |
Chemische & physikalische Eigenschaften
| XLogP | 8,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 16 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 207 |
| Schmelzpunkt | 14 °C |
| Siedepunkt | 367.1±11.0 °C(Predicted) |
| Dichte | 0.923 g/mL at 25 °C(lit.) |
| Dampfdruck | 10Pa at 20℃ |
| Brechungsindex | n20/D 1.4480(lit.) |
| Flammpunkt | >230 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| InChI | InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3 |
| InChIKey | HOQUWXSARQBQCW-UHFFFAOYSA-N |
| SMILES | C(Cl)(OCCCCCCCCCCCCCCCC)=O |
| CAS Datenbank | 26272-90-2(CAS DataBase Reference) |
| EPA chemische Informationen | Carbonochloridic acid, hexadecyl ester (26272-90-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (37 of 185) of reports.WarningH290 (23.2%): May be corrosive to metals [Warning Corrosive to Metals]H315 (79.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (78.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P234, P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P390, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 37 of 185 reports by companies.There are 5 notifications provided by 148 of 185 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Carbonochloridic acid, hexadecyl esterStatus: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984 |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Met. Corr. 1 (23.2%)Skin Irrit. 2 (79.5%)Skin Sens. 1 (78.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 34-43 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1/8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Cetyl chloroformate combined with modified cellulose nanocrystals contributes to improving the catalytic performance of Candida albicans lipase B (CALB).