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α,α-Dimethoxytoluol
boronic Acid Pinacol Ester · Imidazolidinone · morpholinone · mide · carbothioamide · Isoquinolinol · nitrobenzoate · methylbenzamide
Identifikatoren & physikalische Daten
| CAS No. | 1125-88-8 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | COC(OC)c1ccccc1 |
| InChIKey | HEVMDQBCAHEHDY-UHFFFAOYSA-N |
| PubChem CID | 62375 |
| ChEBI | CHEBI:179257 |
| EC No. | 214-413-0 |
| DTXSID | DTXSID5061538 |
| Lokaler Name | α,α-Dimethoxytoluol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 93,7 |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.007-1.0201.014 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)decomposes |
| Siedepunkt | 87.00 to 89.00 °C. @ 18.00 mm Hg198 °C87-89 °C/18 mmHg (lit.) |
| Brechungsindex | 1.488-1.496n20/D 1.493(lit.) |
| Physical Description | colourless liquid with a sweet, floral-almond odour |
| Schmelzpunkt | 87-89 C |
| FEMA | 2128 | BENZALDEHYDE DIMETHYL ACETAL |
| Flammpunkt | 157 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruch | at 100.00 %. green earthy rooty nutty vegetable spinach potato fungal almond winey |
| Geruchsart | green |
| Biologische Quelle | synthetic |
| JECFA Number | 837 |
| BRN | 2044501 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
| InChIKey | HEVMDQBCAHEHDY-UHFFFAOYSA-N |
| SMILES | COC(OC)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.24 |
| CAS Datenbank | 1125-88-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde dimethyl acetal(1125-88-8) |
| EPA chemische Informationen | Benzene, (dimethoxymethyl)- (1125-88-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 320 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, (dimethoxymethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.7%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29110000 |
| RTECS-Nr. | CU5774000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 orally in Rabbit: 1220 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in rhubarb and potato.
Verwenden
Benzaldehyde dimethyl acetal used as an effective reagent for the construction of selenocarbonyl compounds.
Herstellung & Synthese
synthetische
From benzaldehyde and methanol in the presence of calcium chloride and HCl; from benzaldehyde and tetramethylorthosilicate in the presence of anhydrous HCl in methanol