2-Benzyloxybenzoic acid
Grundinformationen
- CAS
14389-86-7- Standard-SMILES
O=C(O)c1ccccc1OCc1ccccc1- InChIKey
GMOYUTKNPLBTMT-UHFFFAOYSA-N- Summenformel
- C14H12O3
- Durchschnittliche Molmasse
- 228,24 g/mol
- Monoisotopische Masse
- 228,07864424
Überblick
2-(benzyloxy)benzoic acid has been reported in Lonicera japonica with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Benzyloxybenzoic acid
- IUPAC
- 2-phenylmethoxybenzoic acid
- Englischer Name
- 2-Benzyloxybenzoic acid
- Summenformel
- C14H12O3
- Molmasse
- 228.24
Namen und Synonyme
2-Benzyloxybenzoic acid2-(benzyloxy)benzoic acidBenzoic acid, 2-(phenylmethoxy)-2-phenylmethoxybenzoic acidDTXSID00932135RefChem:465710DTXCID201447259625-184-514389-86-7MFCD000519402-benzyloxy-benzoic acidOprea1_146405
Weitere Namen anzeigen
AKOS BBB/268ZERENEX E/5016866RARECHEM AL BE 02432-(benzyloxy)benzoateO-Benzylsalicylic acidO-(BENZYLOXY)BENZOIC ACID2-Benzyloxybenzoic acid 97%2-Benzyloxybenzoic Acid >2-(phenylmethoxy)benzoic acid
2-(phenylmethoxy)benzoic acid2-[(phenylmethyl)oxy]benzoic acidBBL015290STK501648CS-W001026TS-00579Benzoic acid,2-(phenylmethoxy)-Enamine_005339
Datenbank-Bezeichner
- CAS
14389-86-7- PubChem CID
- 1810581
- DTXSID
DTXSID00932135- EC Number
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 246
Physikochemische Eigenschaften
- Schmelzpunkt
- 73 · 73-77 °C
- Siedepunkt
- 397.6 · 397.6±17.0 °C(Predicted)
- Dichte
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 3.44 · 3.44±0.36(Predicted)
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
- InChIKey
- GMOYUTKNPLBTMT-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC=C1OCC1=CC=CC=C1
- CAS Datenbank
- 14389 · 14389-86-7(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Benzyloxybenzoic acid (14389-86-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.
Gefahrenhinweise
Regulatory InformationChemical: Benzoic acid, 2-(phenylmethoxy)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (87%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2916399090
- risk_code
- 22-36/37/38-50/53
- hazard_code
- Xn,N
- safety_code
- 22-24/25-61-60-36/37-26
- hazard_class
- IRRITANT
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter95 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [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]
安徽合诺生物科技有限公司0555-2761852
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]
毕佳索（上海毕得医药科技股份有限公司）
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