4-Hydroxyphenethylalkohol
Tyrosol
Grundinformationen
- CAS
501-94-0- Standard-SMILES
OCCc1ccc(O)cc1- InChIKey
YCCILVSKPBXVIP-UHFFFAOYSA-N- Summenformel
- C8H10O2
- Durchschnittliche Molmasse
- 138,16 g/mol
- Monoisotopische Masse
- 138,06807956
Überblick
2-(4-hydroxyphenyl)ethanol is a phenol substituted at position 4 by a 2-hydroxyethyl group. It has a role as a geroprotector, an antioxidant, a cardiovascular drug, an anti-arrhythmia drug, a protective agent, a plant metabolite and a fungal metabolite. It is functionally related to a 2-phenylethanol.
Namen und Bezeichner
- Bevorzugter Name
- Tyrosol
- IUPAC
- 4-(2-hydroxyethyl)phenol
- Lokaler Name
- 4-Hydroxyphenethylalkohol
- Englischer Name
- 4-Hydroxyphenethyl alcohol
- Summenformel
- C8H10O2
- Molmasse
- 138.16
Namen und Synonyme
Tyrosol2-(4-Hydroxyphenyl)ethanol501-94-04-Hydroxyphenethyl alcohol4-(2-Hydroxyethyl)phenolp-Hydroxyphenethyl alcohol4-Hydroxybenzeneethanol4-HydroxyphenylethanolBenzeneethanol, 4-hydroxy-p-Tyrosolp-hydroxyphenylethanol1AK4MU3SNX
Weitere Namen anzeigen
p-Hydroxyphenylethyl alcohol4-Hydroxyphenyl-2-ethanolPHEP
NSC-59876beta-(4-Hydroxyphenyl)ethanolCHEBI:1879DTXSID8060111n-tyrosolpara-hydroxyphenylethanolRefChem:50710DTXCID7040780
Datenbank-Bezeichner
- CAS
501-94-0- PubChem CID
- 10393
- DTXSID
DTXSID8060111- ChEMBL
CHEMBL53566- ChEBI
CHEBI:1879- UNII
- 1AK4MU3SNX
- EC Number
- 207-930-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 85,3
Experimentelle und physikochemische Eigenschaften
LogP0.69
Flavoring AgentsEU Flavoring substances
Boiling Point308.00 to 311.00 °C. @ 760.00 mm Hg
Melting Point90 °C
Physical DescriptionSolid
Collision Cross Section
138.71 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
138.2 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 89 · 89-92 °C(lit.)
- Siedepunkt
- 195 °C · 195°C (18 mmHg)
- Dichte
- 1.0742 · 1.0742 (rough estimate)
- Brechungsindex
- 1.559 · 1.5590 (estimate)
- Flammpunkt
- 139 °C/1mm · 139°C/1mm
- storage temp.
- 30 °C · Store below +30°C.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (95.4%): 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 65 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneethanol, 4-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 25-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19342
Benzeneethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (95.4%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29072900
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Tissue LocationsProstate
Verwendung und Herstellung
General Manufacturing InformationBenzeneethanol, 4-hydroxy-: ACTIVE
Anwendungen
VerwendenPhenolic antioxidant.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
173
Notizen zur Verbindung
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