Identifikatoren & physikalische Daten
| CAS No. | 120659-38-3 |
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| Summenformel | C8H16O3 |
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| Durchschnittliche Molmasse | 160,21 g/mol |
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| Monoisotopische Masse | 160,10994437 g/mol |
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| SMILES | CCCCCC(O)CC(=O)O |
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| InChIKey | NDPLAKGOSZHTPH-UHFFFAOYSA-N |
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| PubChem CID | 26613 |
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| ChEMBL | CHEMBL6173005 |
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| ChEBI | CHEBI:37098 |
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| EC No. | 872-032-0 |
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| DTXSID | DTXSID00864487 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 112 |
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| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - MISCELLANEOUS |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Octanoic acid, 3-hydroxy- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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