HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 14486Erstellt: 23. Oktober 2026
Hex-2-ensure
2-HEXENOIC ACID · FEMA 3169 · T2 HEXENOIC ACID · hex-2-enoic acid · FEMA NUMBER 3169 · TIMTEC-BB SBB009088 · ISOHYDROSORBIC ACID · β-propylacrylic acid
https://huagongshe.com/de/chemical/14486
Identifikatoren & physikalische Daten
| CAS No. | 1191-04-4 |
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| Summenformel | C6H10O2 |
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| Durchschnittliche Molmasse | 114,14 g/mol |
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| Monoisotopische Masse | 114,06807956 g/mol |
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| SMILES | CCCC=CC(=O)O |
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| InChIKey | NIONDZDPPYHYKY-UHFFFAOYSA-N |
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| PubChem CID | 14486 |
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| EC No. | 214-727-8 |
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| DTXSID | DTXSID5061588 |
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| Lokaler Name | Hex-2-ensure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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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 | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 94,7 |
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| Aromastoffe | EU Flavoring substances |
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| Schmelzpunkt | 33-35 °C(lit.) |
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| Siedepunkt | 217 °C(lit.) |
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| Dichte | 0.965 g/mL at 25 °C(lit.) |
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| Dampfdichte | >1 (vs air) |
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| Brechungsindex | n20/D 1.438(lit.) |
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| Flammpunkt | >230 °F |
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| pKa (Säurekonstante) | 4.80±0.10(Predicted) |
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| LogP (Verteilungskoeffizient) | 1.677 (est) |
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| CAS Datenbank | 1191-04-4(CAS DataBase Reference) |
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| EPA chemische Informationen | 2-Hexenoic acid (1191-04-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 103 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 2829 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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