HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,1'-[Ethylidenbis(oxy)]bis(3-methylbutan)
Einecs 235-839-3 · 1,1-DI-ISOPENTYLOXYETHANE · ACETALDEHYDE DI-ISOAMYL ACETAL · Acetaldehyde di(3-methylbutyl) acetal · 1-(1-(Isopentyloxy)ethoxy)-3-methylbutane · Butane, 1,1-ethylidenebis(oxy)bis3-methyl- · 3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane · 1,1'-[ethylidenebis(oxy)]bis(3-methylbutane)
![Molekülstruktur von 1,1'-[Ethylidenbis(oxy)]bis(3-methylbutan)](/img/chemical/83036.png)
Identifikatoren & physikalische Daten
| CAS No. | 13002-09-0 |
|---|---|
| Summenformel | C12H26O2 |
| Durchschnittliche Molmasse | 202,33 g/mol |
| Monoisotopische Masse | 202,19328007 g/mol |
| SMILES | CC(C)CCOC(C)OCCC(C)C |
| InChIKey | LXKCTPBHCJDSKC-UHFFFAOYSA-N |
| PubChem CID | 83036 |
| ChEBI | CHEBI:178467 |
| EC No. | 235-839-3 |
| DTXSID | DTXSID80156296 |
| Lokaler Name | 1,1'-[Ethylidenbis(oxy)]bis(3-methylbutan) |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 107 |
| SpringerMaterials Properties | Surface tension |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.822-0.8320.8290 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in non-polar solventsinsoluble in waterSoluble (in ethanol) |
| Siedepunkt | 210.00 °C. @ 760.00 mm Hg70 °C (2.5 mm Hg)99.3 °C |
| Brechungsindex | 1.410-1.420 |
| Physical Description | LiquidClear, colourless liquidStrong, sweet, fruity aroma |
| FEMA | 4024 | ACETALDEHYDE DIISOAMYL ACETAL |
| Geruch | at 10.00 % in dipropylene glycol. alcoholic fruity ethereal green fermented |
| Geruchsart | fruity |
| JECFA Number | 1729 |
| LogP (Verteilungskoeffizient) | 3.97 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
Anwendungen & Verwendung
Occurrence
Reportedly present in grape brandy, apple brandy, rum, sherry and cider.