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(Z)-2-Buten-1,4-diol
(Z)-But-2-ene-1,4-diol · CIS-2-BUTENE-1,4-DIOL · cis-2-Buten-1,4-diol · cis-but-2-ene-1,4-diol · Butenediol,95% · cis-Butenediol · 2-Butene-1,4-diol · 1,4-Butenediol-[2]
Identifikatoren & physikalische Daten
| CAS No. | 110-64-5 |
|---|---|
| Summenformel | C4H8O2 |
| Durchschnittliche Molmasse | 88,11 g/mol |
| Monoisotopische Masse | 88,0524295 g/mol |
| SMILES | OC/C=C\CO |
| InChIKey | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| PubChem CID | 643790 |
| EC No. | 228-085-1 |
| DTXSID | DTXSID301018106 |
| Lokaler Name | (Z)-2-Buten-1,4-diol |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 34,8 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 4-10 °C(lit.) |
| Siedepunkt | 235 °C(lit.) |
| Dichte | 1.072 g/mL at 20 °C(lit.) |
| Dampfdruck | 0.87Pa at 25℃ |
| Brechungsindex | n20/D 1.479 |
| Flammpunkt | 128 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanolsoluble |
| pKa (Säurekonstante) | 13.88±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | yellow |
| BRN | 1679241 |
| Stabilität | Light Sensitive |
| InChI | 1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1- |
| InChIKey | ORTVZLZNOYNASJ-OWOJBTEDSA-N |
| SMILES | [H]\C(CO)=C(/[H])CO |
| LogP (Verteilungskoeffizient) | -0.9 at 25℃ |
| CAS Datenbank | 6117-80-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butene-1,4-diol, (Z)-(6117-80-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.WarningH302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Butene-1,4-diol, (Z)-Status: Active Update: 01-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12586cis-2-Butene-1,4-diol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29053980 |
| RTECS-Nr. | EM4970000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25-36-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralSTOT RE 2 |
Anwendungen & Verwendung
Verwenden
cis-2-Butene-1, 4-diol is used as a probe for studying isomerization versus hydrogenation and hydrogenolysis reactions. (DPCB-OMe) efficiently catalyzes cyclodehydration of cis-2-butene-1,4-diol with active methylene compounds to give 2-vinyl-2,3-dihydrofurans in good to high yields. Grubbs's cross metathesis of eugenol with cis-2-butene-1, 4-diol to make a natural product, an organometallic experiment.