4-Benzylphenol
Grundinformationen
- CAS
101-53-1- Standard-SMILES
Oc1ccc(Cc2ccccc2)cc1- InChIKey
HJSPWKGEPDZNLK-UHFFFAOYSA-N- Summenformel
- C13H12O
- Durchschnittliche Molmasse
- 184,23 g/mol
- Monoisotopische Masse
- 184,088815
Überblick
metabolite of diphenylmethane; RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- 4-Benzylphenol
- IUPAC
- 4-benzylphenol
- Lokaler Name
- 4-Benzylphenol
- Englischer Name
- 4-Benzylphenol
- Summenformel
- C13H12O
- Molmasse
- 184.23
Namen und Synonyme
4-Benzylphenol101-53-1p-Benzylphenol4-HYDROXYDIPHENYLMETHANEPhenol, 4-(phenylmethyl)-FesiaseptDTXSID9047962NSC-8078CS02509J25DTXCID5027938para-benzylphenolRefChem:97985
Weitere Namen anzeigen
BENZYLPHENOLai3-1932Fesia-sept
202-950-34-Hydroxyditane4-(Phenylmethyl)phenolalpha-Phenyl-p-cresolp-Hydroxydiphenyl methaneNSC 8078p-Cresol, .alpha.-phenyl-MFCD00002384
Datenbank-Bezeichner
- CAS
101-53-1- PubChem CID
- 7563
- DTXSID
DTXSID9047962- ChEMBL
CHEMBL611613- UNII
- CS02509J25
- EC Number
- 202-950-3
- Nikkaji
- J95.594I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 153
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.0000685 [mmHg]
Physical DescriptionSolid; [Merck Index] White crystalline solid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 79 · 79-81 °C(lit.)
- Siedepunkt
- 198 · 198-200 °C10 mm Hg(lit.)
- Dichte
- 1.012 · 1.0120 (rough estimate)
- Brechungsindex
- 1.5641 · 1.5641 (estimate)
- Flammpunkt
- 320 · 320-322°C
- storage temp.
- Sealed in dry,Room Temperature
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 (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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationPhenol, 4-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Diphenylmethane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2907.19.8000
- RTECS-Nr.
- SM8330500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Uses
Metabolite of diphenylmethane. [ChemIDplus] Used as a germicide, antiseptic, and preservative, and in organic syntheses; [Merck Index]
Using Disinfectants or Biocides [Category: Clean]
General Manufacturing InformationPhenol, 4-(phenylmethyl)-: INACTIVE
Anwendungen
Verwenden4-Benzylphenol_x000D_(4-Hydroxydiphenylmethane) (cas# 101-53-1) is a compound useful in organic synthesis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
44
Notizen zur Verbindung
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