HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methylhept-5-en-2-ol
5-Hepten-2-ol, 6-methyl- · 6-methylhept-5-en-2-ol · 6-methyl-5-hepten-2-o · Isometheptene Impurity 4 · NSC-66273 · (R)-6-METHYL-5-HEPTEN-2-OL · (n)-6-methyl-5-hepten-2-ol · (±)-6-Methyl-5-hepten-2-ol
Identifikatoren & physikalische Daten
| CAS No. | 1569-60-4 |
|---|---|
| Summenformel | C8H16O |
| Durchschnittliche Molmasse | 128,21 g/mol |
| Monoisotopische Masse | 128,12011513 g/mol |
| SMILES | CC(C)=CCCC(C)O |
| InChIKey | OHEFFKYYKJVVOX-UHFFFAOYSA-N |
| PubChem CID | 20745 |
| ChEBI | CHEBI:15833 |
| EC No. | 216-377-1 |
| DTXSID | DTXSID8051754 |
| Lokaler Name | 6-Methylhept-5-en-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 90,7 |
| Lipide | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Duftstoffe | Fragrance Ingredient (2-Methyl-2-hepten-6-ol) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | -31.5°C (estimate) |
| Siedepunkt | 78 °C/14 mmHg (lit.) |
| Dichte | 0.844 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.448(lit.) |
| Flammpunkt | 154 °F |
| Löslichkeit | soluble in ChloroformSoluble in Chloroform. Not miscible with water. |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 15.25±0.20(Predicted) |
| Farbe | Yellow |
| Geruch | at 1.00 % in dipropylene glycol. sweet oily green coriander |
| Geruchsart | green |
| Biologische Quelle | synthetic |
| BRN | 1720073 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3 |
| InChIKey | OHEFFKYYKJVVOX-UHFFFAOYSA-N |
| SMILES | CC(O)CC\C=C(\C)C |
| LogP (Verteilungskoeffizient) | 2.570 |
| EPA chemische Informationen | 6-Methyl-5-hepten-2-ol (1569-60-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.6% (142 of 144) of all reports.Not ClassifiedAggregated GHS information provided per 144 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 5-Hepten-2-ol, 6-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)5-Hepten-2-ol, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 5-Hepten-2-ol, 6-methyl-: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 40-67-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-24/25-23 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Sulcatol is an compound used in the synthesis of aggregation pheromone of the ambrosia beetle, an insect pest of harvested timber in the Pacific North Coast.