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But-3-ensaeure
3-BUTENOIC ACID · 3-Butensαure · CH2=CHCH2COOH · VinylaceticAci · Vinylessigsαure · but-3-enoicacid · Vinylacetic acid · vinyl acetic caid
Identifikatoren & physikalische Daten
| CAS No. | 28391-17-5 |
|---|---|
| Summenformel | C4H6O2 |
| Durchschnittliche Molmasse | 86,09 g/mol |
| Monoisotopische Masse | 86,03677943 g/mol |
| SMILES | C=CCC(=O)O |
| InChIKey | PVEOYINWKBTPIZ-UHFFFAOYSA-N |
| PubChem CID | 32743 |
| ChEBI | CHEBI:35897 |
| EC No. | 210-892-5 |
| DTXSID | DTXSID60211539 |
| Lokaler Name | But-3-ensaeure |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 65,9 |
| Stoffklassen | Other Classes -> Organic Acids |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103] |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | −39 °C(lit.) |
| Siedepunkt | 163 °C(lit.) |
| Dichte | 1.013 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.423(lit.) |
| Flammpunkt | 150 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Fully miscible. |
| pKa (Säurekonstante) | 4.34(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| BRN | 1699159 |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6) |
| InChIKey | PVEOYINWKBTPIZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CC=C |
| CAS Datenbank | 625-38-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Butenoic acid |
| Gefahrenübersicht | Causes burns[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2922 8/PG 2 |
| Zollcode | 29161900 |
| R-Sätze (R) | 22-34-68-43-40 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Aquatic Chronic 2Carc. 2Eye Dam. 1Muta. 2Skin Corr. 1BSkin Sens. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Vinylacetic acid used in the preparation of strained nitroso Diels-Aldrer adducts which undergo a domino ROC metathesis in the presence of Ru-carbene catalysts and olefins. It is used in the synthesis of polyethylene glycolated boltorn coatings. It was used to study the inhibition of the enzyme-catalyzed conversion of D-tyrosyl- phenylalanyl-glycine to D-tyrosyl-phenylaline amide by non-peptide carboxylic acids.