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3,5-Dimethoxytoluol
1,3-Dimethoxy-5-methylbenzene · ORCINOL DIMETHYL ETHER · SKL305 · 3,5-DIMETHOXYTOLUENE · Toluene, 3,5-dimethoxy- · 3,5-Dimethoxytoluene,99% · 3,5-Dimethoxytoluene >3,5-DiMethoxytoluene, GC 98% · 1,3-dimethoxy-5-methyl-benzen
Identifikatoren & physikalische Daten
| CAS No. | 4179-19-5 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | COc1cc(C)cc(OC)c1 |
| InChIKey | RIZBLVRXRWHLFA-UHFFFAOYSA-N |
| PubChem CID | 77844 |
| ChEBI | CHEBI:141217 |
| EC No. | 224-048-9 |
| DTXSID | DTXSID8063339 |
| Lokaler Name | 3,5-Dimethoxytoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 102 |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (3,5-Dimethoxytoluene) -> IFRA transparency List |
| Schmelzpunkt | 61-62 C |
| Siedepunkt | 244 °C (lit.) |
| Dichte | 1.039 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.522(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Methanol (Sparingly) |
| Aggregatzustand | Liquid |
| Wichte | 1.039 |
| Farbe | Clear colorless to yellow |
| Geruch | Warm and sweet, nut-like, earthy-mossy odor |
| BRN | 2043558 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3 |
| InChIKey | RIZBLVRXRWHLFA-UHFFFAOYSA-N |
| SMILES | COc1cc(C)cc(OC)c1 |
| LogP (Verteilungskoeffizient) | 2.897 (est) |
| CAS Datenbank | 4179-19-5(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-Dimethoxytoluene(4179-19-5) |
| EPA chemische Informationen | 3,5-Dimethoxytoluene (4179-19-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.2% (3 of 1420) of reports.WarningH315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1420 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,3-dimethoxy-5-methyl-Benzene, 1,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzene, 1,3-dimethoxy-5-methyl-: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (99.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3,5-Dimethoxytoluene (DMT) may be used in the synthesis of 3,5-dimethoxybenzoic acid by oxidation and 2-methoxy-6-methyl-1,4-benzoquinone by catalytic oxidation with hydrogen peroxide (H2O2)/methyltrioxorhenium (CH3ReO3) in dimethyl carbonate (DMC).
Verwenden
3,5-Dimethoxytoluene has been suggested for use in perfume compositions as supporting note for Oakmoss and Vetiver, and as a novel note in Chypre, Fougere and Oriental fragrance types.