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HCID 100993Erstellt: 26. Oktober 2026
Isotridecyl-3,5,5-trimethylhexanoat
Wickenol 153 · Einecs 261-675-7 · isotridecyl 3,5,5-trimethylhexanoate · 11-Methyldodecyl 3,5,5-trimethylhexanoate · Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester · Isomeric tetramethyl-1-nonyl 3,5,5-trimethyl hexanoate
https://huagongshe.com/de/chemical/100993
Identifikatoren & physikalische Daten
| CAS No. | 42131-27-1 |
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| Summenformel | C22H44O2 |
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| Durchschnittliche Molmasse | 340,6 g/mol |
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| Monoisotopische Masse | 340,33413064 g/mol |
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| SMILES | CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C |
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| InChIKey | WAYINTBTZWQNSN-UHFFFAOYSA-N |
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| PubChem CID | 100993 |
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| EC No. | 261-675-7 |
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| Lokaler Name | Isotridecyl-3,5,5-trimethylhexanoat |
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Chemische & physikalische Eigenschaften
| XLogP | 8,9 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 16 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 302 |
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| Siedepunkt | 161℃[at 101 325 Pa] |
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| Dichte | 0.86[at 20℃] |
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| Dampfdruck | 0.001Pa at 20℃ |
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| Geruch | at 100.00%. bland |
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| Löslichkeit | 250ng/L at 25℃ |
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| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING |
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| LogP (Verteilungskoeffizient) | 9.45 at 25℃ |
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| EPA chemische Informationen | Isotridecyl 3,5,5-trimethylhexanoate (59231-37-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 24 of 24 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 24 of 24 reports by companies.There are 0 notifications provided by 0 of 24 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. |
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| Regulatorische Informationen | Chemical: Hexanoic acid, 3,5,5-trimethyl-, isotridecyl esterStatus: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26650Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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