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trans-Hex-2-en-1-ol
TRANS-2-HEXENOL · (E)-2-Hexen-1-ol · (E)-2-hexenol · 2-HEXENOL · (E)-Hex-2-en-1-ol · (E)-hex-2-enol · HEXENOL TRANS-2 · (2E)-2-Hexen-1-ol
Identifikatoren & physikalische Daten
| CAS No. | 2305-21-7 |
|---|---|
| Summenformel | C6H12O |
| Durchschnittliche Molmasse | 100,16 g/mol |
| Monoisotopische Masse | 100,088815 g/mol |
| SMILES | CCC/C=C/CO |
| InChIKey | ZCHHRLHTBGRGOT-SNAWJCMRSA-N |
| PubChem CID | 5318042 |
| ChEMBL | CHEMBL2228463 |
| ChEBI | CHEBI:144070 |
| EC No. | 213-191-2 |
| DTXSID | DTXSID2047062 |
| Lokaler Name | trans-Hex-2-en-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 48 |
| Dichte | 0.836-0.8410.849 g/mL at 25 °C(lit.) |
| Löslichkeit | Soluble in propylene glycol and most fixed oilsVery slightly soluble in waterSoluble (in ethanol)Slightly soluble in water |
| Siedepunkt | 158.00 to 160.00 °C. @ 760.00 mm Hg158-160158-160 °C(lit.) |
| Brechungsindex | 1.437-1.442n20/D 1.438(lit.) |
| Physical Description | LiquidAlmost colourless liquidStrong, fruity-green aroma |
| Kovats Retention Index | 848845846856833849850847851854855859860862879868861885.78678658588748871409141013801394140713901403141714021392140614141391 |
| Schmelzpunkt | 54.63°C |
| Dampfdruck | 1hPa at 20℃ |
| FEMA | 2562 | 2-HEXEN-1-OL |
| Flammpunkt | 130 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 14.45±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruch | at 10.00 % in dipropylene glycol. fresh green leafy fruity unripe banana |
| Geruchsart | fruity |
| Biologische Quelle | synthetic |
| BRN | 1719709 |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+ |
| InChIKey | ZCHHRLHTBGRGOT-SNAWJCMRSA-N |
| SMILES | [H]\C(CO)=C(\[H])CCC |
| LogP (Verteilungskoeffizient) | 1.61 at 25℃ |
| CAS Datenbank | 928-95-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Hexen-1-ol, (E)-(928-95-0) |
| EPA chemische Informationen | (E)-2-Hexen-1-ol (928-95-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (32 of 1672) of reports.WarningH226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]H317 (82.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (85.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1672 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 32 of 1672 reports by companies.There are 16 notifications provided by 1640 of 1672 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Hexen-1-ol, (E)-Chemical: 2-Hexen-1-olRegulation (EC) No 1831/2003 (amended)2-Hexen-1-ol, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Hexen-1-ol, (2E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/265952-Hexen-1-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Hexen-1-ol: Environment tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Flam. Liq. 3 (27.7%)Flam. Liq. 3 (97.6%)Skin Sens. 1 (82.1%)Eye Irrit. 2A (85.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29052900 |
| RTECS-Nr. | MP8390000 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
trans-2-Hexen-1-ol was used to evaluate the quality of protected designation of virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was also used in encapsulation of vanadium catalysts in inorganic and hybrid matrices using sol-gel method.