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3-Methylpentan-1-ol
1-Pentanol, 3-methyl- · 3-Methylpentan-1-ol · 3-Ethyl-1-butanol · FEMA 3762 · 3-methyl-1-pentano · 3-methyl-pentan-1-ol · 3-METHYL PENTANOL · 2-Ethyl-4-butanol
Identifikatoren & physikalische Daten
| CAS No. | 20281-83-8 |
|---|---|
| Summenformel | C6H14O |
| Durchschnittliche Molmasse | 102,17 g/mol |
| Monoisotopische Masse | 102,10446507 g/mol |
| SMILES | CCC(C)CCO |
| InChIKey | IWTBVKIGCDZRPL-UHFFFAOYSA-N |
| PubChem CID | 11508 |
| ChEBI | CHEBI:87381 |
| EC No. | 209-644-9 |
| DTXSID | DTXSID20862248 |
| Lokaler Name | 3-Methylpentan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 35 |
| Dichte | 0.8230.823 g/mL at 25 °C (lit.) |
| Löslichkeit | (in ethanol)4.282g/L(25 ºC) |
| Siedepunkt | 151.00 to 152.00 °C. @ 760.00 mm Hg151-152 °C151-152 °C (lit.) |
| Brechungsindex | 1.418n20/D 1.418(lit.) |
| Physical Description | colourless liquid with a pungent wine-like, cocoa odour |
| Kovats Retention Index | 826854.4855.2852829825843807818833850858854.5812848132513311334131313281314132313411344132013431353133013221332 |
| Schmelzpunkt | -48.42°C (estimate) |
| Dampfdichte | >1 (vs air) |
| FEMA | 3762 | 3-METHYL-1-PENTANOL |
| Flammpunkt | 138 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 15.21±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 0.823 |
| Geruch | at 100.00 %. fusel cognac wine cocoa green fruity |
| Geruchsart | fermented |
| Biologische Quelle | synthetic |
| JECFA Number | 263 |
| BRN | 1718979 |
| Henry-Konstante | 7.5×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | IWTBVKIGCDZRPL-UHFFFAOYSA-N |
| SMILES | CCC(C)CCO |
| LogP (Verteilungskoeffizient) | 1.75 |
| CAS Datenbank | 589-35-5(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Methyl-1-pentanol (589-35-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 9.2% (135 of 1467) of reports.WarningH226 (90.8%): 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 1467 reports by companies from 8 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 135 of 1467 reports by companies.There are 7 notifications provided by 1332 of 1467 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: 1-Pentanol, 3-methyl-1-Pentanol, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - 1-Pentanol, 3-methyl-: Human health tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Flam. Liq. 3 (90.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29051990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse |
Anwendungen & Verwendung
Beschreibung
3-Methyl-l-pentanol has a fruity, green, slightly pungent odor.
Occurrence
Reported found in apple, apple juice, cheese, lamb, cognac, rum, cider, sherry, fruit brandies, whiskey, grape wines, strawberries, tomatoes, baked potatoes, starfruit, plum brandy, mango, prickly pear, Bourbon vanilla, lamb’s lettuce and Roman chamomile oil