Grundinformationen
- CAS
2491-32-9- Standard-SMILES
O=C(Cc1ccccc1)c1ccc(O)cc1- InChIKey
JBQTZLNCDIFCCO-UHFFFAOYSA-N- Summenformel
- C14H12O2
- Durchschnittliche Molmasse
- 212,24 g/mol
- Monoisotopische Masse
- 212,08372962
Namen und Bezeichner
- Bevorzugter Name
- Benzyl 4-hydroxyphenyl ketone
- IUPAC
- 1-(4-hydroxyphenyl)-2-phenylethanone
- Lokaler Name
- Benzyl-4-hydroxyphenylketon
- Englischer Name
- Benzyl 4-hydroxyphenyl ketone
- Summenformel
- C14H12O2
- Molmasse
- 212.24
Namen und Synonyme
Benzyl 4-hydroxyphenyl ketone2491-32-91-(4-hydroxyphenyl)-2-phenylethanone4-HydroxydeoxybenzoinEthanone, 1-(4-hydroxyphenyl)-2-phenyl-Acetophenone, 4'-hydroxy-2-phenyl-p-(Phenylacetyl)phenolBenzyl p-hydroxyphenyl ketone4-Hydroxydesoxybenzoin4'-Hydroxy-2-phenylacetophenoneEINECS 219-654-5DTXSID30179617
Weitere Namen anzeigen
4-HYDROXYDEOXYBENZOIN 97%4-HYDROXYPHENYL BENZYL KETONE 7%
RefChem:118848DTXCID90102108219-654-5JBQTZLNCDIFCCO-UHFFFAOYSA-N1-(4-hydroxyphenyl)-2-phenylethan-1-one4'-HydroxydeoxybenzoinMFCD000023604-hydroxyphenyl benzyl ketone
Datenbank-Bezeichner
- CAS
2491-32-9- PubChem CID
- 75607
- DTXSID
DTXSID30179617- ChEMBL
CHEMBL1904584- ChEBI
CHEBI:192647- UNII
- PB47WD2SDR
- EC Number
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 223
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-151 °C (lit.)
- Siedepunkt
- 403.3 · 403.3±20.0 °C(Predicted)
- Dichte
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 8.12 · 8.12±0.15(Predicted)
- Farbe
- White to Orange to Green
- InChI
- 1S/C14H12O2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,15H,10H2
- InChIKey
- JBQTZLNCDIFCCO-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C(=O)Cc2ccccc2
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145000
- 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
Darstellung
synthetische– Obtained by reaction of phenylacetic acid with phenol, in the presence of zinc chloride (Nencki reaction), in the presence of zinc chloride and phosphorous oxychloride for 24 h at r.t. (75%) ; in the presence of polyphosphoric acid in a boiling water bath for 15 min (28%) or at 100° (19%) ; in the presence of boron trifluoride at 80° for 2 h (87%) ; in the presence of boron trifluoride etherate under argon on a water bath for 1.5 h (75%).
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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