Grundinformationen
- Standard-SMILES
CCOC(=O)[C@H](O)CCc1ccccc1- InChIKey
ZJYKSSGYDPNKQS-LLVKDONJSA-N- Summenformel
- C12H16O3
- Durchschnittliche Molmasse
- 208,25 g/mol
- Monoisotopische Masse
- 208,10994437
Namen und Bezeichner
- Bevorzugter Name
- Ethyl (R)-2-hydroxy-4-phenylbutyrate
- IUPAC
- ethyl (2R)-2-hydroxy-4-phenylbutanoate
- Englischer Name
- Ethyl (R)-2-hydroxy-4-phenylbutyrate
- Summenformel
- C12H16O3
- Molmasse
- 208.26
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
90315-82-5- PubChem CID
- 2733848
- DTXSID
DTXSID20370015- ChEMBL
CHEMBL4630646- UNII
- QP7IWH2QOX
- EC Number
- 618-525-4
- Nikkaji
- J275.578E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 185
Physikochemische Eigenschaften
- Schmelzpunkt
- NA
- Siedepunkt
- 212 °C · 212 °C(lit.)
- Dichte
- 1.075 g/mL · 1.075 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.504(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 13 · 13.00±0.20(Predicted)
- Farbe
- Colorless
- Wasserlöslichkeit
- insoluble
- BRN
- 3590943 · 3590943
- InChI
- 1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m1/s1
- InChIKey
- ZJYKSSGYDPNKQS-LLVKDONJSA-N
- SMILES
- CCOC(=O)[C@H](O)CCc1ccccc1
- CAS Datenbank
- 90315 · 90315-82-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.;There is 1 notification provided by 1 of 5 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29181990
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenEthyl(R)-2-hydroxy-4-phenylbutyrate is used in the preparation of benzothiophenes, benzofurans, and indoles useful in the treatment of insulin resistance and hyperglycemia.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…