HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70705Erstellt: 27. Oktober 2026
Hept-6-ensure
hept-6-enoic acid · Hept-6-enoicaci · 6-HEPTENOIC ACID · RARECHEM AL BO 1361 · 6-Heptenoic acid 99% · Hept-6-enoic acid,97%(stabilized with MEHQ)
https://huagongshe.com/de/chemical/70705
Identifikatoren & physikalische Daten
| CAS No. | 1119-60-4 |
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| Summenformel | C7H12O2 |
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| Durchschnittliche Molmasse | 128,17 g/mol |
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| Monoisotopische Masse | 128,08372962 g/mol |
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| SMILES | C=CCCCCC(=O)O |
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| InChIKey | RWNJOXUVHRXHSD-UHFFFAOYSA-N |
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| PubChem CID | 70705 |
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| ChEBI | CHEBI:38363 |
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| EC No. | 214-283-5 |
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| DTXSID | DTXSID80149769 |
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| Lokaler Name | Hept-6-ensure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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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 | 5 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 97,1 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103] |
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| Schmelzpunkt | -6.5 °C (lit.) |
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| Siedepunkt | 222-224 °C (lit.) |
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| Dichte | 0.946 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.439(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 4.75±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Colourless to light yellow |
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| Löslichkeit | Miscible with water. |
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| BRN | 1747265 |
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| InChI | InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9) |
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| InChIKey | RWNJOXUVHRXHSD-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)CCCCC=C |
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| LogP (Verteilungskoeffizient) | 1.930 (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 45 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3265 8/PG 3 |
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| Zollcode | 2916199590 |
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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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| Gefahrenklasse | 8Skin Corr. 1B |
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| Verpackungsgruppe | II |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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