Grundinformationen
- Standard-SMILES
Oc1ccccc1Cc1ccccc1- InChIKey
CDMGNVWZXRKJNS-UHFFFAOYSA-N- Summenformel
- C13H12O
- Durchschnittliche Molmasse
- 184,23 g/mol
- Monoisotopische Masse
- 184,088815
Namen und Bezeichner
- Bevorzugter Name
- 2-Benzylphenol
- IUPAC
- 2-benzylphenol
- Englischer Name
- 2-Hydroxydiphenylmethane
- Summenformel
- C13H12O
- Molmasse
- 184.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1322-51-6、28994-41-4- PubChem CID
- 24216
- DTXSID
DTXSID0067428- ChEMBL
CHEMBL122649- UNII
- SF555BL24O
- EC Number
- 215-339-1、249-361-8
- Nikkaji
- J94.943D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 161
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-51 °C (lit.) 49-51 °C
- Siedepunkt
- 312 °C · 312 °C (lit.)
- Dichte
- 1.012 · 1.0120 (rough estimate)
- Brechungsindex
- 20 · nD20 1.59945
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- practically insoluble
- Aggregatzustand
- powder to crystal
- pka
- 10.39 · 10.39±0.30(Predicted)
- Farbe
- White to Brown
- Wasserlöslichkeit
- practically insoluble
- Merck
- 14 · 14,1142
- BRN
- 2045725 · 2045725
- InChI
- 1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
- InChIKey
- CDMGNVWZXRKJNS-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1Cc2ccccc2
- CAS Datenbank
- 28994 · 28994-41-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Phenol, 2-(phenylmethyl)-(28994-41-4)
- EPA chemische Informationen
- 2 · Phenol, 2-(phenylmethyl)- (28994-41-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809
Phenol, 2-(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.
Hazard Classes and Categories
Skin Irrit. 2 (97.8%);Eye Irrit. 2 (97.8%);STOT SE 3 (95.7%)
Not Classified
Regulatorische Informationen
Regulatory Information
Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809
Phenol, 2-(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.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29071990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Benzylphenol was used as starting reagent in the synthesis of 2-benzylacetate. It was also used in the the synthesis of 6- and 8-benzyl derivatives of 2-(dialkylamino)chromones.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…