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Hepta-1,6-dien-4-ol
hepta-1,6-dien-4-ol · 4-hepta-1,6-dienol · 1,6-HEPTADIEN-4-OL · 1,6-HEPTADIENE-4-OL · 1,6-Heptadien-4-ol,97% · 1,6-HEPTADIEN-4-OL 97% · 1,6-Heptadien-4-ol, 97% 5GR · 1,6-HEPTADIEN-4-OL ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 2883-45-6 |
|---|---|
| Summenformel | C7H12O |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,088815 g/mol |
| SMILES | C=CCC(O)CC=C |
| InChIKey | UTGFOWQYZKTZTN-UHFFFAOYSA-N |
| PubChem CID | 17902 |
| ChEBI | CHEBI:229301 |
| EC No. | 220-742-0 |
| DTXSID | DTXSID70870999 |
| Lokaler Name | Hepta-1,6-dien-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,5 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Physical Description | Liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 151 °C (lit.) |
| Dichte | 0.864 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.45(lit.) |
| Flammpunkt | 104 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| InChI | InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2 |
| InChIKey | UTGFOWQYZKTZTN-UHFFFAOYSA-N |
| SMILES | C=CCC(O)CC=C |
| LogP (Verteilungskoeffizient) | 1.911 (est) |
| CAS Datenbank | 2883-45-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29052990 |
| RTECS-Nr. | MI5450000 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,6-Heptadien-4-ol (monoterpene alcohol) was used as the internal standard in the quantitation and identification of the important aroma components in wine. It was used to study the co- and terpolymerization reactions of carbon monoxide and propene with dicationic biphosphine palladium(II) as the catalyst.