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p-(Dimethoxymethyl)anisol
ANISALDEHYDE DIMETHYL ACETAL · -4-methoxybenzene · ANISIC ALDEHYDE DMA · 1-(Dimethoxymethyl) · Nintedanib Impurity 33 · α,α,4-Trimethoxytoluene · Anisaldehyddimethylacetal · p-(dimethoxymethyl)anisole
Identifikatoren & physikalische Daten
| CAS No. | 2186-92-7 |
|---|---|
| Summenformel | C10H14O3 |
| Durchschnittliche Molmasse | 182,22 g/mol |
| Monoisotopische Masse | 182,09429431 g/mol |
| SMILES | COc1ccc(C(OC)OC)cc1 |
| InChIKey | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| PubChem CID | 75140 |
| EC No. | 218-577-4 |
| DTXSID | DTXSID3062239 |
| Lokaler Name | p-(Dimethoxymethyl)anisol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 126 |
| Duftstoffe | Fragrance Ingredient (Benzene, 1-_(dimethoxymethyl)_-_4-_methoxy-) -> IFRA transparency List |
| Siedepunkt | 85-87 °C0.1 mm Hg(lit.) |
| Dichte | 1.07 g/mL at 20 °C(lit.) |
| Dampfdruck | 2.407-48Pa at 25-61.2℃ |
| Brechungsindex | n20/D 1.505 |
| Flammpunkt | 97°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | H2O: solubleMiscible with alcohol and many organic solvents. Slightly miscible with water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Geruch | Herbal-green, somewhat floral odor, suggestive of Lilac (“Lilac-green’”), Hyacinth, Appleblossom, etc. |
| Geruchsart | floral |
| BRN | 2048930 |
| InChI | 1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3 |
| InChIKey | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| SMILES | COC(OC)c1ccc(OC)cc1 |
| LogP (Verteilungskoeffizient) | 2 at 25℃ |
| CAS Datenbank | 2186-92-7(CAS DataBase Reference) |
| EPA chemische Informationen | p-(Dimethoxymethyl)anisole (2186-92-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.1% (105 of 107) of all reports.Not ClassifiedAggregated GHS information provided per 107 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-(dimethoxymethyl)-4-methoxy-Status: Active Update: 24-02-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1858Benzene, 1-(dimethoxymethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29110000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Methoxybenzaldehyde dimethyl acetal is used as a precursor to 1-methoxy-1-(4-methoxyphenyl)hept-2-yne, 2,5-dioxopyrrolidin-1-yl-3-((4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamido)propanoate and 1-(p-anisyl)-2-(2-methoxyethyl)-3-phenylindene. Further, it acts as a protecting group reagent for diols, especially in carbohydrates. It is also used as a flavor essence in sunflower, cyclamen and in jasmine. In addition to this, it is involved in allylation reactions with allyltrimethylsilane catalyzed by Iron(III) chloride.