Identifikatoren & physikalische Daten
| CAS No. | 2027-47-6 |
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| Summenformel | C18H34O2 |
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| Durchschnittliche Molmasse | 282,5 g/mol |
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| Monoisotopische Masse | 282,25588033 g/mol |
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| SMILES | CCCCCCCCC=CCCCCCCCC(=O)O |
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| InChIKey | ZQPPMHVWECSIRJ-UHFFFAOYSA-N |
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| PubChem CID | 965 |
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| EC No. | 217-977-6 |
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| DTXSID | DTXSID7048118 |
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| Lokaler Name | 9-Octadecensure |
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Chemische & physikalische Eigenschaften
| XLogP | 6,5 |
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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 | 15 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 234 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 52.5 °C |
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| Siedepunkt | 160-165 °C(Press: 0.0002 Torr) |
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| Dichte | 0.926 g/cm3 |
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| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
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| EPA chemische Informationen | 9-Octadecenoic acid (2027-47-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Not ClassifiedAggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement) |
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| Regulatorische Informationen | 9-Octadecenoic 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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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Not Classified |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| TSCA-Inventar-Status | TSCA listed |
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