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4-Vinylveratrol
Benzene, 4-ethenyl-1,2-dimethoxy- · 1,2-Dimethoxy-4-vinylbenzene · 4-ethenyl-1,2-dimethoxybenzene · 4-vinylveratrole · 3,4-DiMethoxystyrol · 3,4-Dimethoxystyrene · Styrene, 3,4-dimethoxy- · 3,4-DIMETHOXYSTYRENE, TECH.
Identifikatoren & physikalische Daten
| CAS No. | 6380-23-0 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | C=Cc1ccc(OC)c(OC)c1 |
| InChIKey | NJXYTXADXSRFTJ-UHFFFAOYSA-N |
| PubChem CID | 61400 |
| ChEBI | CHEBI:180399 |
| EC No. | 228-962-9 |
| DTXSID | DTXSID6064296 |
| Lokaler Name | 4-Vinylveratrol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 145 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.006-1.0121.109 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightlySlightly soluble in watersoluble (in ethanol)Chloroform, Ethyl Acetate, Methanol |
| Siedepunkt | 203.00 to 205.00 °C. @ 20.00 mm Hg203-205 °C (20 mm Hg)120-125 °C/10 mmHg (lit.) |
| Brechungsindex | 1.520-1.526n20/D 1.571(lit.) |
| Physical Description | colourless to yellow oily liquidsweet, floral penetrating aroma |
| FEMA | 3138 | 3,4-DIMETHOXY-1-VINYLBENZENE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless to Pale Yellow |
| Geruch | at 100.00 %. green floral weedy cortex fruity |
| Geruchsart | floral |
| JECFA Number | 1251 |
| Stabilität | Light Sensitive |
| InChI | 1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3 |
| InChIKey | NJXYTXADXSRFTJ-UHFFFAOYSA-N |
| SMILES | COc1ccc(C=C)cc1OC |
| LogP (Verteilungskoeffizient) | 2.53 |
| EPA chemische Informationen | Benzene, 4-ethenyl-1,2-dimethoxy- (6380-23-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 4-ethenyl-1,2-dimethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzene, 4-ethenyl-1,2-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 36-68-43-40 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Chronic 2Carc. 2Eye Irrit. 2Muta. 2Skin Sens. 1 |
Anwendungen & Verwendung
Occurrence
Reported found in coffee, rum and buckwheat.
Verwenden
3,4-Dimethoxy Styrene (~1% Hydroquinone as stabilizer) (cas# 6380-23-0) is a compound useful in organic synthesis.