HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21263Erstellt: 26. Oktober 2026
3-Pentenoic acid
pent-3-enoic acid · CH3CH=CHCH2COOH · 3-Pentenoic acid · RARECHEM AL BO 0169 · 3-PENTENOIC ACID 95+% · 1-Propenylacetic acid · TRANS-3-PENTENOIC ACID · CGP 37849 ((E)-(±Ethylidenepropionic acid
https://huagongshe.com/de/chemical/21263
Identifikatoren & physikalische Daten
| CAS No. | 5204-64-8 |
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| Summenformel | C5H8O2 |
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| Durchschnittliche Molmasse | 100,12 g/mol |
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| Monoisotopische Masse | 100,05242949 g/mol |
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| SMILES | CC=CCC(=O)O |
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| InChIKey | UIUWNILCHFBLEQ-UHFFFAOYSA-N |
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| PubChem CID | 21263 |
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| EC No. | 628-465-0 |
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| DTXSID | DTXSID001316753 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 84 |
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| Schmelzpunkt | 20.44°C (estimate) |
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| Siedepunkt | 192-194 °C (lit.) |
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| Dichte | 0.986 g/mL at 20 °C (lit.) |
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| Brechungsindex | n20/D 1.435 |
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| Flammpunkt | 95 °C |
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| pKa (Säurekonstante) | 4.52±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Colorless |
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| BRN | 1743187 |
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| InChI | 1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+ |
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| InChIKey | UIUWNILCHFBLEQ-NSCUHMNNSA-N |
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| SMILES | C\C=C\CC(O)=O |
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| LogP (Verteilungskoeffizient) | 0.835 (est) |
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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 41 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| F | 10-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3265 8/PG 3 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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| Gefahrenklasse | Skin Corr. 1B |
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