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3-Buten-1-ol
Homoallyl alcohol · 3-Butenol · 3-BUTENE-1-OL · 1-Buten-4-ol · 3-Butenyl alcohol · 4-HYDROXY-1-BUTENE · NSC 60194 · 3-Buten-1-O1
Identifikatoren & physikalische Daten
| CAS No. | 627-27-0 |
|---|---|
| Summenformel | C4H8O |
| Durchschnittliche Molmasse | 72,11 g/mol |
| Monoisotopische Masse | 72,05751487 g/mol |
| SMILES | C=CCCO |
| InChIKey | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| PubChem CID | 69389 |
| ChEBI | CHEBI:193941 |
| EC No. | 210-991-3 |
| DTXSID | DTXSID2060836 |
| Lokaler Name | 3-Buten-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 24 |
| Siedepunkt | 113.50 °C. @ 760.00 mm Hg112-114 °C (lit.) |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 609620640641663638617.8624.1629596597117111701149118511871209117811371190.11180.6 |
| Schmelzpunkt | -31.44°C (estimate) |
| Dichte | 0.838 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.421(lit.) |
| Flammpunkt | 90 °F |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | soluble in Chloroform, Methanol |
| pKa (Säurekonstante) | 15.04±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 0.843 |
| Explosionsgrenze | 2-28%(V) |
| BRN | 1633504 |
| Stabilität | Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents. Flammable. |
| InChI | 1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2 |
| InChIKey | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| SMILES | OCCC=C |
| LogP (Verteilungskoeffizient) | 0.679 (est) |
| CAS Datenbank | 627-27-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Buten-1-ol(627-27-0) |
| EPA chemische Informationen | 3-Buten-1-ol (627-27-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (54.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (45.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (44.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (53.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 193 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 3-Buten-2-ol. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (99%)Eye Dam. 1 (54.9%)Eye Irrit. 2 (45.1%)STOT SE 3 (44.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode |
Anwendungen & Verwendung
Verwenden
3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.