HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11612Erstellt: 2. November 2026
Hept-3-en
3-HEPTENE · 4-Heptene · hept-3-ene · (3E)-3-Heptene · TRANS-HEPTENE-3 · 3-Heptene (cis- · 3-Heptene (c,t) · trans-3-Heptene
https://huagongshe.com/de/chemical/11612
Identifikatoren & physikalische Daten
| CAS No. | 592-78-9 |
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| Summenformel | C7H14 |
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| Durchschnittliche Molmasse | 98,19 g/mol |
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| Monoisotopische Masse | 98,10955045 g/mol |
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| SMILES | CCC=CCCC |
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| InChIKey | WZHKDGJSXCTSCK-UHFFFAOYSA-N |
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| PubChem CID | 11612 |
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| EC No. | 209-769-9 |
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| DTXSID | DTXSID10860874 |
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| Lokaler Name | Hept-3-en |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 44 |
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| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
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| SpringerMaterials Properties | Density |
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| Physical Description | Colorless liquidMixture of 50% cis and 50% trans isomers[EPA OHM/TADS] Clear colorless liquid[Aldrich MSDS] |
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| Schmelzpunkt | −137-−136.6 °C(lit.) |
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| Siedepunkt | 95-96 °C(lit.) |
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| Dichte | 0.702 g/mL at 20 °C(lit.) |
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| Brechungsindex | n20/D 1.405 |
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| Flammpunkt | 21 °F |
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| Lagerbedingungen | 2-8°C |
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| BRN | 1719014 |
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| InChI | 1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+ |
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| InChIKey | WZHKDGJSXCTSCK-FNORWQNLSA-N |
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| SMILES | CCC\C=C\CC |
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| LogP (Verteilungskoeffizient) | 3.864 (est) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | A mild skin irritantHigh concentrations may have narcotic effects[EPA OHM/TADS] An irritant[Aldrich MSDS] |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| F | 10-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3295 3/PG 2 |
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| R-Sätze (R) | 11-65 |
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| Gefahrensymbole | F,Xn |
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| Sicherheitshinweise (S) | 16-62 |
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| Gefahrenklasse | 3Asp. Tox. 1Flam. Liq. 2 |
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| Verpackungsgruppe | II |
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| Lagerklasse | 3 - Flammable liquids |
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