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Hex-5-en-1-ol
Hex-5-en-1-ol · 5-hexenol · 5-HEXEN-1-OL · 1-Hexen-6-ol · 5-hexeen-1-ol · 5-Hexen-1-ol>5-Hexen-1-ol,99% · 5-HEXEN-1-OL 99% · 6-Hydroxyhex-1-ene
Identifikatoren & physikalische Daten
| CAS No. | 821-41-0 |
|---|---|
| Summenformel | C6H12O |
| Durchschnittliche Molmasse | 100,16 g/mol |
| Monoisotopische Masse | 100,088815 g/mol |
| SMILES | C=CCCCCO |
| InChIKey | UIZVMOZAXAMASY-UHFFFAOYSA-N |
| PubChem CID | 69963 |
| EC No. | 212-477-4 |
| DTXSID | DTXSID2074950 |
| Lokaler Name | Hex-5-en-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 41,4 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Optical coefficient |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.845-0.8490.834 g/mL at 25 °C (lit.) |
| Löslichkeit | Soluble in water and most fixed oilsSoluble (in ethanol)18.6g/lMiscible with water. |
| Siedepunkt | 154-155 °C78-80 °C/25 mmHg (lit.) |
| Brechungsindex | 1.434-1.437n20/D 1.435(lit.) |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS]Colourless liquidGreen aroma |
| Schmelzpunkt | <-20°C |
| FEMA | 4351 | 5-HEXENOL |
| Flammpunkt | 117 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.17±0.10(Predicted) |
| Farbe | Clear colorless |
| Wichte | 0.846 |
| Geruch | green |
| pH | 7 (H2O) |
| Geruchsart | green |
| Biologische Quelle | synthetic |
| JECFA Number | 1623 |
| BRN | 1236458 |
| Stabilität | Volatile |
| InChI | 1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2 |
| InChIKey | UIZVMOZAXAMASY-UHFFFAOYSA-N |
| SMILES | OCCCCC=C |
| LogP (Verteilungskoeffizient) | 1.50 |
| CAS Datenbank | 821-41-0(CAS DataBase Reference) |
| EPA chemische Informationen | 5-Hexen-1-ol (821-41-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 26.3% (55 of 209) of reports.DangerH226 (36.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/237645-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See 3-Buten-2-ol. |
| Hazard Classes and Categories | Flam. Liq. 3 (36.4%) |
| F | 9 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29052290 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-24/25 |
| Gefahrenklasse | 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5-Hexen-1-ol is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry. Further, it is used to prepare 6-bromo-hex-1-ene by reaction with phosphorus tribromide.
Herstellung & Synthese
synthetische
5-hexen-1-ol may be prepared from 2-(chloromethyl)tetrahydropyran according to the literature procedure for the preparation of 4-penten-1-ol (Brooks, L. A.; Snyder, H. R. Org. Synth. Coll. Vol. III 1955, 698).