Grundinformationen
- CAS
7786-61-0- Standard-SMILES
C=Cc1ccc(O)c(OC)c1- InChIKey
YOMSJEATGXXYPX-UHFFFAOYSA-N- Summenformel
- C9H10O2
- Durchschnittliche Molmasse
- 150,17 g/mol
- Monoisotopische Masse
- 150,06807956
Namen und Bezeichner
- Bevorzugter Name
- 4-Vinylguaiacol
- IUPAC
- 4-ethenyl-2-methoxyphenol
- Lokaler Name
- 2-Methoxy-4-vinylphenol
- Englischer Name
- 4-Hydroxy-3-methoxystyrene
- Summenformel
- C9H10O2
- Molmasse
- 150.17
Namen und Synonyme
2-Methoxy-4-vinylphenol7786-61-04-vinylguaiacolp-Vinylguaiacol4-Hydroxy-3-methoxystyrene4-ETHENYL-2-METHOXYPHENOLPhenol, 4-ethenyl-2-methoxy-o-methoxy-p-vinylphenol4-vinyl-2-methoxyphenolpara-vinylguaiacolGuaiacol, 4-vinyl-Phenol, 2-methoxy-4-vinyl-
Weitere Namen anzeigen
FEMA 26752-Methoxy-4-vinylphenol (4-vinylguaiacol)VINYL GUAIACOLp-Vinyl guaicol
4-Hydroxy-3-methoxyvinylbenzene3-Methoxy-4-hydroxystyreneFEMA No. 2675Varamol 106DTXSID70525292M4VPDA069CTH0O4-hydroxy-3-methoxyphenylethene
Datenbank-Bezeichner
- CAS
7786-61-0- PubChem CID
- 332
- DTXSID
DTXSID7052529- ChEMBL
CHEMBL1232595- ChEBI
CHEBI:42438- UNII
- DA069CTH0O
- EC Number
- 232-101-2
- Nikkaji
- J134.783G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 134
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 · 25-29°C
- Siedepunkt
- 224 °C · 224 °C(lit.)
- Dichte
- 1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.582(lit.)
- FEMA
- 2675 · 2675 | 2-METHOXY-4-VINYLPHENOL
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 10 · 10.00±0.31(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Colourless to Off-White Oil
- Geruch (Odor)
- 0.1 % · at 0.10 % in dipropylene glycol. sweet spicy clove carnation phenolic peppery smoky woody powdery
- Geruchsart
- spicy
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Miscible with water.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1760
- hs_code
- 29095000
- RTECS-Nr.
- SL8205000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 8
- Speicherklasse
- 8B - Non-combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Anwendungen
OccurrenceReported found among the steam-distillable phenols from the alcoholic fermentation of cereal grains, especially corn; probably formed from ferulic acid. Reported found in tobacco, beans, coffee, malt, apple, grapefruit juice, grapes, raspberry, strawberry, asparagus, kohlrabi, carrot, celery, tomato, rye bread, smoked fish, cured pork, beer, cognac, rum, cider, sherry, grape wines, coffee, tea, peanut, popcorn,soybean, passion fruit, beans,starfruit,sesame seed, mango, cauliflower, tamarind, fig, corianderseed, rice, quince, rhubarb, dill, lovage root, corn oil, sweet corn, malt, wort, Texas sage, okra, cuttlefish and Chinese quince.
Verwendenp-Vinylguaiacol is an aromatic substance and one of the compounds responsible for the natural aroma of buckwheat. It is also one of the major pyrolytic products of (E)-N-[(4-hydroxy-3-methoxy)-phenethyl]-3-[(3-methoxy-4-O-β-D-glucopyranosyloxy) phenyl] acrylamide; a new gycloside in tobacco.
Darstellung
synthetischeFrom vanillin by reacting with acetic anhydride and sodium acetate yielding 3-methoxy-4-hydroxycinnamic acid on sub sequent hydrolysis; the latter, heated with quinoline in the presence of hydroquinone, is decarboxylated to 4-vinylguaiacol.
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