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Crotylalkohol
CROTYL ALCOHOL · but-2-en-1-ol · 2-buten-1-ol (crotyl alcohol) · 1-HYDROXY-2-BUTENE · 2-Butenol · 2-Buten-1-o1 · CH3CH=CHCH2OH · Krotylalkohol
Identifikatoren & physikalische Daten
| CAS No. | 6117-91-5 |
|---|---|
| Summenformel | C4H8O |
| Durchschnittliche Molmasse | 72,11 g/mol |
| Monoisotopische Masse | 72,05751488 g/mol |
| SMILES | CC=CCO |
| InChIKey | WCASXYBKJHWFMY-UHFFFAOYSA-N |
| PubChem CID | 20024 |
| EC No. | 228-086-7 |
| DTXSID | DTXSID2052283 |
| Lokaler Name | Crotylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 30,6 |
| Stoffklassen | Flammable agents - 3rd degree |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Coriolis coupling |
| Physical Description | Clear light yellow liquid[Acros Organics MSDS] |
| Schmelzpunkt | -91.3°C (estimate) |
| Siedepunkt | 121-122 °C(lit.) |
| Dichte | 0.845 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.427(lit.) |
| Flammpunkt | 37 °C |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)Miscible with water. |
| pKa (Säurekonstante) | 14.70±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Merck | 14,2601 |
| BRN | 1719374 |
| Henry-Konstante | 3.1×100 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010) |
| InChI | 1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| InChIKey | WCASXYBKJHWFMY-NSCUHMNNSA-N |
| SMILES | C\C=C\CO |
| LogP (Verteilungskoeffizient) | 0.636 (est) |
| CAS Datenbank | 6117-91-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Buten-1-ol(6117-91-5) |
| EPA chemische Informationen | 2-Buten-1-ol (6117-91-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P302+P352, P303+P361+P353, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 237 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Buten-1-olCrotyl alcohol: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Gefahrenübersicht | An irritantHarmful by ingestion, inhalation, and skin absorption[Acros Organics MSDS] See 4-Hexen-1-ol and 3-Methyl-2-buten-1-ol. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 3rd degree |
| Toxicity Data | LCLo (rat) = 2,000 ppm/4hr |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29052900 |
| RTECS-Nr. | EM9275000 |
| R-Sätze (R) | 10-21/22 |
| Toxizität | LD50 orally in rats: 0.93 ml/kg (Smyth) |
| Gefahrensymbole | Xn,F |
| hazard_note | Harmful/Highly Flammable |
| Sicherheitshinweise (S) | 36/37 |
| Gefahrenklasse |
Anwendungen & Verwendung
Verwenden
Chemical intermediate, source of monomers, herbicide, and soil fumigant.