HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
But-3-in-2-ol
but-3-yn-2-ol · Butynol · 1-Ethynylethanol · 3-butyn-2-0l · 3-Bytyn-2-ol · 3-Butyn-2-ol · 3-Butyne-2-Ol98% · 3-Butyn-2-ol,97%
Identifikatoren & physikalische Daten
| CAS No. | 2028-63-9 |
|---|---|
| Summenformel | C4H6O |
| Durchschnittliche Molmasse | 70,09 g/mol |
| Monoisotopische Masse | 70,04186481 g/mol |
| SMILES | C#CC(C)O |
| InChIKey | GKPOMITUDGXOSB-UHFFFAOYSA-N |
| PubChem CID | 16239 |
| EC No. | 217-978-1 |
| DTXSID | DTXSID3022297 |
| Lokaler Name | But-3-in-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 57,3 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Physical Description | Colorless or light yellow liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -1.5°C |
| Siedepunkt | 66-67 °C/150 mmHg (lit.) |
| Dichte | 0.894 g/mL at 25 °C (lit.) |
| Dampfdruck | 11hPa at 20℃ |
| Brechungsindex | n20/D 1.426(lit.) |
| Flammpunkt | 78 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Completely miscible in water |
| pKa (Säurekonstante) | 13.28±0.20(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 0.894 |
| Farbe | Clear colorless to light yellow |
| BRN | 635722 |
| InChI | 1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3 |
| InChIKey | GKPOMITUDGXOSB-UHFFFAOYSA-N |
| SMILES | CC(O)C#C |
| LogP (Verteilungskoeffizient) | 1.1 at 35℃ |
| CAS Datenbank | 2028-63-9(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Butyn-2-ol(2028-63-9) |
| EPA chemische Informationen | 3-Butyn-2-ol (2028-63-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (68.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Butyn-2-olStatus: Active Update: 04-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/195613-Butyn-2-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. |
| Gefahrenübersicht | A skin and strong eye irritantHighly toxic by ingestion and skin absorptionDermal LD50 (rabbit) < 200 mg/kg[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (68.8%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2929 6.1/PG 2 |
| Zollcode | 29052900 |
| RTECS-Nr. | ES0709800 |
| R-Sätze (R) | 10-25-36/38-36/37/38-24/25 |
| Gefahrensymbole | T,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-45-36/37/39-16 |
| Gefahrenklasse | 6.1Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Self-react. GSkin Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |