Grundinformationen
- Standard-SMILES
COc1cc(CO)cc(OC)c1O- InChIKey
LUOAEJWSKPQLJD-UHFFFAOYSA-N- Summenformel
- C9H12O4
- Durchschnittliche Molmasse
- 184,19 g/mol
- Monoisotopische Masse
- 184,07355886
Überblick
Syringyl alcohol is a member of the class of phenols that is phenol substituted by a hydroxymethyl group at position 4 and methoxy groups at positions 2 and 6 respectively. It is a member of benzyl alcohols, a member of phenols and a dimethoxybenzene.
Namen und Bezeichner
- Bevorzugter Name
- Syringic alcohol
- IUPAC
- 4-(hydroxymethyl)-2,6-dimethoxyphenol
- Lokaler Name
- 4-Hydroxy-3,5-dimethoxybenzylalkohol
- Englischer Name
- 4-HYDROXY-3,5-DIMETHOXYBENZYL ALCOHOL
- Summenformel
- C9H12O4
- Molmasse
- 184.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
530-56-3- PubChem CID
- 10741
- DTXSID
DTXSID00201050- ChEBI
CHEBI:86948- UNII
- K7G66I59XC
- EC Number
- 208-485-2
- Nikkaji
- J11.711K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 137
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 50 · 50-57 °C(lit.)
- Siedepunkt
- 261 °C · 261 °C(lit.)
- Dichte
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Sparingly soluble (0.40 g/L at 25°C).
- pka
- 9.77 · 9.77±0.23(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Brown to Light Brown
- BRN
- 1873975 · 1873975
- LogP
- 0.063 · 0.063 (est)
- CAS Datenbank
- 530 · 530-56-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenemethanol, 4-hydroxy-3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 1
- RTECS-Nr.
- SL0900000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
Verwenden4-Hydroxy-3,5-dimethoxybenzyl alcohol is a 2,4,6- substituted phenol with antiviral properties.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A member of the class of phenols that is phenol substituted by a hydroxymethyl group at position 4 and methoxy groups at positions 2 and 6 respectively.
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