Salicylalkohol
Salicyl Alcohol
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Grundinformationen
- CAS
90-01-7- Standard-SMILES
OCc1ccccc1O- InChIKey
CQRYARSYNCAZFO-UHFFFAOYSA-N- Summenformel
- C7H8O2
- Durchschnittliche Molmasse
- 124,14 g/mol
- Monoisotopische Masse
- 124,0524295
Überblick
Salicyl alcohol is a hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. It has a role as a human urinary metabolite. It is a hydroxybenzyl alcohol and an aromatic primary alcohol. It is functionally related to a phenol and a benzyl alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Salicyl Alcohol
- IUPAC
- 2-(hydroxymethyl)phenol
- Lokaler Name
- Salicylalkohol
- Englischer Name
- 2-Hydroxybenzyl alcohol
- Summenformel
- C7H8O2
- Molmasse
- 124.14
Namen und Synonyme
salicyl alcohol2-HYDROXYBENZYL ALCOHOL90-01-72-(Hydroxymethyl)phenolSaligenino-Hydroxybenzyl alcoholBenzenemethanol, 2-hydroxy-SaligenolDiathesinSalicylalkoholSalicainDTXSID9045843
Weitere Namen anzeigen
Salicylic alcohol1‐(2‐Hydroxyphenyl)‐methanolSALIGENINEα,2-toluenediolo-Methylolphenol
NSC-3814FA1N0842KBCHEBI:16464DTXCID70258432-methylol phenol2-monomethylolphenolRefChem:884386201-960-5
Datenbank-Bezeichner
- CAS
90-01-7- PubChem CID
- 5146
- DTXSID
DTXSID9045843- ChEMBL
CHEMBL280802- ChEBI
CHEBI:16464- UNII
- FA1N0842KB
- EC Number
- 201-960-5
- Nikkaji
- J4.312E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 83
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
LogP0.56
Vapor Pressure0.000825 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 83 · 83-85 °C(lit.)
- Siedepunkt
- 190.92 °C · 190.92°C (rough estimate)
- Dichte
- 1 · 1,613 g/cm3
- Brechungsindex
- 1.5035 · 1.5035 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 5 %, · ethanol: soluble5%, clear to very slightly hazy, colorless to light yellow
- pka
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
This chemical does not meet GHS hazard criteria for 35.2% (37 of 105) of reports.
Warning
H315 (64.8%): 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 105 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, 2-hydroxy-
Benzenemethanol, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAllergic contact dermatitis reported in resin handlers; The other methylol phenols are also sensitizers: 3-methylol phenol (620-24-6) and 4-methylol phenol (623-05-2). [Kanerva, p. 1815]
Hazard Classes and CategoriesSkin Irrit. 2 (64.8%)
Toxikologische Informationen
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29072900
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in phenol-formaldehyde resols; [Kanerva, p. 1815]
Plastic Composites Manufacturing [Category: Industry]
General Manufacturing InformationBenzenemethanol, 2-hydroxy-: ACTIVE
Anwendungen
Verwenden2-Hydroxybenzyl Alcohol is a phenolic component of a part of a salix bark extract which maintains a minor anti-depressant effect. Phenolic analog with potential for anti-melanomic effect. Also It is an intermediate in the production of phenol formaldehyde res ins (may remain after condensation of the resin); sensitizer in phenol-formaldehyde resins; in loeal anesthetics.
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