Identifikatoren & physikalische Daten
| CAS No. | 544-12-7 |
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| Summenformel | C6H12O |
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| Durchschnittliche Molmasse | 100,16 g/mol |
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| Monoisotopische Masse | 100,088815 g/mol |
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| SMILES | CCC=CCCO |
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| InChIKey | UFLHIIWVXFIJGU-UHFFFAOYSA-N |
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| PubChem CID | 10993 |
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| EC No. | 208-860-0 |
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| DTXSID | DTXSID3047217 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 48,1 |
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| SpringerMaterials Properties | Optical coefficient |
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| Duftstoffe | Fragrance Ingredient (3-Hexen-1-ol (isomer unspecified)) -> IFRA transparency List |
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| Aromastoffe | EU Flavoring substances |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (90.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 265 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 3-Hexen-1-ol3-Hexen-1-ol: 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 | Flam. Liq. 3 (90.6%) |
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