4-Hydroxybenzylalkohol
4-Hydroxybenzyl Alcohol
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Grundinformationen
- CAS
623-05-2- Standard-SMILES
OCc1ccc(O)cc1- InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N- Summenformel
- C7H8O2
- Durchschnittliche Molmasse
- 124,14 g/mol
- Monoisotopische Masse
- 124,0524295
Überblick
P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of benzyl alcohols and a member of phenols.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxybenzyl Alcohol
- IUPAC
- 4-(hydroxymethyl)phenol
- Lokaler Name
- 4-Hydroxybenzylalkohol
- Englischer Name
- 4-Hydroxybenzyl alcohol
- Summenformel
- C7H8O2
- Molmasse
- 124.14
Namen und Synonyme
4-hydroxybenzyl alcohol623-05-24-(Hydroxymethyl)phenolp-Hydroxybenzyl alcoholp-Methylolphenol4-Hydroxybenzenemethanol4-MethylolphenolBenzenemethanol, 4-hydroxy-p-(Hydroxymethyl)phenolGastrodigeninalpha-Hydroxy-p-cresolParahydroxybenzyl Alcohol
Weitere Namen anzeigen
4-hydroxyphenyl Methanolp-HydroxybenzylP-hydroxylbenzyl alcohol4-Hydroxybenzylic Alcohol4-Hydroxybenzyl alcohol, 97% 25GR
DTXSID8073920(4-Hydroxyphenyl)methanol1A3AH1FP1Bhydroxybenzyl alcoholNSC-227926FEMA NO. 3987CHEBI:674104-methylol phenol
Datenbank-Bezeichner
- CAS
623-05-2- PubChem CID
- 125
- DTXSID
DTXSID8073920- ChEMBL
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 75
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
LogP
0.25
0.48
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
6700 mg/L @ 20 °C (exp)
slightly soluble in water; soluble in organic solvents
soluble (in ethanol)
Boiling Point252.00 °C. @ 760.00 mm Hg
Melting Point124.5 °C
Vapor Pressure0.000825 [mmHg]
Physical Description
White to cream crystalline powder; [Alfa Aesar MSDS]
Solid
White crystalline powder; slightly fruity-sweet coconut odour
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 12.1% (24 of 198) of reports.
Warning
H315 (27.3%): 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 198 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, 4-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 19-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27142
Benzenemethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes other degenerative changes to brain and effects on other enzymes in acute intraperitoneal studies of mice; Human dermal administration causes allergic dermatitis and cutaneous sensitization in 2-day studies; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (27.3%)
Toxikologische Informationen
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites4-Hydroxybenzyl alcohol is a known human metabolite of 4-Methylphenol.
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
OccurrenceReportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew
Verwenden4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Darstellung
synthetischePrepared from p-cresol by using the microorganism, Pseudomonas putida.
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Vorgelagerte Rohstoffe
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