Grundinformationen
- CAS
4890-85-1- Standard-SMILES
O=C(O)c1ccccc1CCc1ccccc1- InChIKey
IOHPVZBSOKLVMN-UHFFFAOYSA-N- Summenformel
- C15H14O2
- Durchschnittliche Molmasse
- 226,27 g/mol
- Monoisotopische Masse
- 226,09937969
Namen und Bezeichner
- Bevorzugter Name
- o-Phenethylbenzoic acid
- IUPAC
- 2-(2-phenylethyl)benzoic acid
- Lokaler Name
- o-Phenethylbenzoesure
- Englischer Name
- 2-Bibenzylcarboxylic acid
- Summenformel
- C15H14O2
- Molmasse
- 226.27
Namen und Synonyme
4890-85-12-(2-Phenylethyl)benzoic acido-Phenethylbenzoic acidBenzoic acid derivativeEINECS 225-511-8DTXSID50197636EC 225-511-8RefChem:855307DTXCID10120127225-511-82-Bibenzylcarboxylic Acid2-phenethylbenzoic acid
Weitere Namen anzeigen
AKOS BC-0835O phenethyl benzoateLABOTEST-BB LT001594222-Dibenzylcarboxylic acidPHENYL ETHYL BENZOIC ACID2-Bibenzylcarboxylic acid,98%
Benzoic acid, 2-(2-phenylethyl)-2-(phenethyl)benzoic acidMFCD00002485CHEMBL54012032-Bibenzylcarboxylicacid2-BIBENZYLCARBOXYLIC ACID 98%Phenylethyl benzoic acid2-phenethyl benzoic acid
Datenbank-Bezeichner
- CAS
4890-85-1- PubChem CID
- 78603
- DTXSID
DTXSID50197636- ChEMBL
CHEMBL5401203- UNII
- U749PF8VJ4
- EC Number
- 225-511-8
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 243
Physikochemische Eigenschaften
- Schmelzpunkt
- 127 · 127-132 °C
- Siedepunkt
- 259 °C · 259 °C
- Dichte
- 1.0891 · 1.0891 (rough estimate)
- Brechungsindex
- 1.653 · 1.6530 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.08 · 4.08±0.36(Predicted)
- CAS Datenbank
- 4890 · 4890-85-1(CAS DataBase Reference)
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 1.5% (1 of 67) of reports.
Warning
H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.5%): 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 67 reports by companies from 5 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 67 reports by companies.；There are 4 notifications provided by 66 of 67 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 InformationStatus: Active Update: 16-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8313
Hazard Classes and CategoriesSkin Irrit. 2 (98.5%)；Eye Irrit. 2 (98.5%)；STOT SE 3 (98.5%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 16-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8313
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter65 Anbieter
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [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（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Zugehörige Reaktionen
20
Notizen zur Verbindung
Wird geladen…