HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pent-4-ynsaeure
Pent-4-yn-1-oic acid · PROPARGYLACETIC ACID · 4-Pentynoic acid · pent-4-yn-1-oicacid · 4-Pentynoicacid,98% · TIMTEC-BB SBB009121 · Pentane-4-ynoic acid · 4-Pentynoic acid ,95%
Identifikatoren & physikalische Daten
| CAS No. | 6089-09-4 |
|---|---|
| Summenformel | C5H6O2 |
| Durchschnittliche Molmasse | 98,1 g/mol |
| Monoisotopische Masse | 98,03677943 g/mol |
| SMILES | C#CCCC(=O)O |
| InChIKey | MLBYLEUJXUBIJJ-UHFFFAOYSA-N |
| PubChem CID | 22464 |
| EC No. | 228-028-0 |
| DTXSID | DTXSID20209730 |
| Lokaler Name | Pent-4-ynsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 106 |
| Schmelzpunkt | 54-57 °C(lit.) |
| Siedepunkt | 110 °C30 mm Hg(lit.) |
| Dichte | 1.1133 (rough estimate) |
| Brechungsindex | 1.3930 (estimate) |
| Flammpunkt | 75 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 4.30±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder or Flakes |
| Farbe | White to beige |
| Löslichkeit | Soluble in low polarity organic solvents. Soluble in water. |
| BRN | 1742047 |
| InChI | 1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7) |
| InChIKey | MLBYLEUJXUBIJJ-UHFFFAOYSA-N |
| SMILES | OC(=O)CCC#C |
| LogP (Verteilungskoeffizient) | 0.402 (est) |
| CAS Datenbank | 6089-09-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 4-Pentynoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29161900 |
| RTECS-Nr. | SC4751000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Pentynoic Acid is a hypoglycemic agent shown to increase liver tyrosine aminotransferase and plasma corticosterone while decreasing blood sugar in rats.