HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,6-Dimethyloctan-2-ol
TETRALOL · TETRAHYDRO MUGUOL · Linacsol · Ai3-24902 · TETRALOL R · Einecs 242-361-9 · TETRAHYDROMYRCENOL · 2,6-dimethyl-2-octano
Identifikatoren & physikalische Daten
| CAS No. | 18479-57-7 |
|---|---|
| Summenformel | C10H22O |
| Durchschnittliche Molmasse | 158,28 g/mol |
| Monoisotopische Masse | 158,16706532 g/mol |
| SMILES | CCC(C)CCCC(C)(C)O |
| InChIKey | WRFXXJKURVTLSY-UHFFFAOYSA-N |
| PubChem CID | 86751 |
| ChEMBL | CHEMBL3188990 |
| EC No. | 242-361-9 |
| DTXSID | DTXSID0044810 |
| Lokaler Name | 2,6-Dimethyloctan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 97 |
| Duftstoffe | Fragrance Ingredient (Tetrahydromyrcenol) -> IFRA transparency List |
| Physical Description | CBILiquid |
| Schmelzpunkt | -1.53°C (estimate) |
| Siedepunkt | 197-201 °C(lit.) |
| Dichte | 0.823 g/mL at 25 °C(lit.) |
| Dampfdruck | 9.3Pa at 24℃ |
| Brechungsindex | n20/D 1.4335(lit.) |
| Flammpunkt | 185 °F |
| pKa (Säurekonstante) | 15.33±0.29(Predicted) |
| Farbe | A colourless liquid. |
| Geruch | at 100.00 %. fresh sweet citrus lime floral lily |
| Geruchsart | citrus |
| Löslichkeit | 281.9mg/L at 24℃ |
| Henry-Konstante | 2.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.2 at 25℃ |
| EPA chemische Informationen | 2-Octanol, 2,6-dimethyl- (18479-57-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.8% (1584 of 1619) of all reports.Not ClassifiedAggregated GHS information provided per 1619 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Octanol, 2,6-dimethyl-2-Octanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Octanol, 2,6-dimethyl- 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)REACH registered substance: 2,6-dimethyloctan-2-ol (EC: 242-361-9)2,6-dimethyloctan-2-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 52/53 |
| Toxizität | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974). |
| Sicherheitshinweise (S) | 61 |
Anwendungen & Verwendung
Occurrence
Has apparently not been reported to occur in nature.
Verwenden
Tetrahydromuguol finds extensive use as a soap perfume chemical (mixture) and as a base for many types of floral fragrances, Muguet, Lilac, Rose, Lily, etc. It blends excellently with the conventional “rose materials”, alifatic aldehydes, Decenol, Amylcinnamic aldehyde, Butylcyclohexanyl acetate, etc. for such purposes.
Herstellung & Synthese
synthetische
From allo-ocimene, via allo-ocimenol followed by hydrogenation (Arctander, 1969). Uses: Use in fragrances in the USA amounts to approximately 35,000 lb/yr.