Grundinformationen
- Standard-SMILES
C=Cc1ccc(OC)c(OC)c1- InChIKey
NJXYTXADXSRFTJ-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Überblick
1,2-Dimethoxy-4-vinylbenzene is a dimethoxybenzene.
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Dimethoxystyrene
- IUPAC
- 4-ethenyl-1,2-dimethoxybenzene
- Lokaler Name
- 4-Vinylveratrol
- Englischer Name
- 3,4-Dimethoxystyrene
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
3,4-Dimethoxystyrene6380-23-01,2-Dimethoxy-4-vinylbenzene4-Ethenyl-1,2-dimethoxybenzeneBenzene, 4-ethenyl-1,2-dimethoxy-4-VinylveratroleStyrene, 3,4-dimethoxy-4-Vinyl-1,2-dimethoxybenzene3,4-DIMETHOXY-1-VINYLBENZENEVeratrole, 4-vinyl-FEMA No. 313850PLH4M73W
Weitere Namen anzeigen
3,4-DiMethoxystyrol3,4-DIMETHOXYSTYRENE, TECH.3,4-dimethoxybenzenethylene
EINECS 228-962-9DTXSID6064296BENZENE, 4-ETHENYL-1,2-DIMETHOXY3,4-DIMETHOXY-1-VINYLBENZENE [FHFI]RefChem:486315DTXCID9044112228-962-93,4-dimethoxy styrene
Datenbank-Bezeichner
- CAS
6380-23-0- PubChem CID
- 61400
- DTXSID
DTXSID6064296- ChEBI
CHEBI:180399- UNII
- 50PLH4M73W
- EC Number
- 228-962-9
- Nikkaji
- J206.987C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 145
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.006-1.012
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Slightly soluble in water
soluble (in ethanol)
Boiling Point
203.00 to 205.00 °C. @ 20.00 mm Hg
203-205 °C (20 mm Hg)
Refractive Index1.520-1.526
Physical Descriptioncolourless to yellow oily liquid; sweet, floral penetrating aroma
Physikochemische Eigenschaften
- Siedepunkt
- 120 · 120-125 °C/10 mmHg (lit.)
- Dichte
- 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
- FEMA
- 3138 · 3138 | 3,4-DIMETHOXY-1-VINYLBENZENE
- Brechungsindex
- 20 · n20/D 1.571(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform, Ethyl Acetate, Methanol
- Aggregatzustand
- Oil
- Farbe
- Clear Colourless to Pale Yellow
- Geruch (Odor)
- 100 % · at 100.00 %. green floral weedy cortex fruity
- Geruchsart
- floral
- JECFA Number
- 1251 · 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
- 2.53 · 2.53
- EPA chemische Informationen
- 4 · Benzene, 4-ethenyl-1,2-dimethoxy- (6380-23-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (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.
Gefahrenhinweise
Regulatory Information
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
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- risk_code
- 36-68-43-40
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 2Carc. 2Eye Irrit. 2Muta. 2Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, 4-ethenyl-1,2-dimethoxy-: INACTIVE
Anwendungen
OccurrenceReported found in coffee, rum and buckwheat.
Verwenden3,4-Dimethoxy Styrene (~1% Hydroquinone as stabilizer) (cas# 6380-23-0) is a compound useful in organic synthesis.
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