Identifikatoren & physikalische Daten
| CAS No. | 32844-67-0 |
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| Summenformel | C16H32O2 |
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| Durchschnittliche Molmasse | 256,42 g/mol |
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| Monoisotopische Masse | 256,24023026 g/mol |
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| SMILES | CC(C)CCCCCCCCCCCCC(=O)O |
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| InChIKey | ZONJATNKKGGVSU-UHFFFAOYSA-N |
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| PubChem CID | 36247 |
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| ChEBI | CHEBI:84890 |
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| EC No. | 251-256-7 |
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| DTXSID | DTXSID9067726 |
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| Lokaler Name | Isohexadecansure |
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Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 13 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 188 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| Schmelzpunkt | 61.8 - 62.4 °C |
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| Physical Description | Other Solid |
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| LogP (Verteilungskoeffizient) | 6.655 (est) |
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| EPA chemische Informationen | Isohexadecanoic acid (32844-67-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.WarningH315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports. |
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| Regulatorische Informationen | Chemical: Pentadecanoic acid, 14-methyl-Isohexadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isohexadecanoic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Isohexadecanoic acid: 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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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.5%)Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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