Ethyl 3-hydroxy-5-oxo-3-cyclohexene-1-carboxylate
Grundinformationen
- CAS
88805-65-6- Standard-SMILES
CCOC(=O)C1CC(=O)C=C(O)C1- InChIKey
SSXUXPNPVFUMDJ-UHFFFAOYSA-N- Summenformel
- C9H12O4
- Durchschnittliche Molmasse
- 184,19 g/mol
- Monoisotopische Masse
- 184,07355886
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 3-hydroxy-5-oxo-3-cyclohexene-1-carboxylate
- IUPAC
- ethyl 3-hydroxy-5-oxocyclohex-3-ene-1-carboxylate
- Englischer Name
- ethyl 3-hydroxy-5-oxo-3-cyclohexene-1-carboxylate
- Summenformel
- C9H12O4
- Molmasse
- 184.19
Namen und Synonyme
88805-65-6ethyl 3-hydroxy-5-oxo-3-cyclohexene-1-carboxylateEC 414-450-4RefChem:594980414-450-4Ethyl 3-hydroxy-5-oxocyclohex-3-enecarboxylateETHYL 3-HYDROXY-5-OXOCYCLOHEX-3-ENE-1-CARBOXYLATEMFCD19441209ethyl 3-hydroxy-5-oxo-cyclohexa-3-ene carboxylate3-Cyclohexene-1-carboxylicacid, 3-hydroxy-5-oxo-, ethyl esterEthyl 3-hydroxy-5-oxo-cyclohex-3-ene-1-carboxylateSCHEMBL3922985
Weitere Namen anzeigen
SSXUXPNPVFUMDJ-UHFFFAOYSA-N3-Cyclohexene-1-carboxylic acid, 3-hydroxy-5-oxo-, ethyl ester
DTXSID80441694FH180470CS-0199257NS00002523Ethyl3-hydroxy-5-oxocyclohex-3-enecarboxylateE77116Ethyl-3-hydroxy-5-oxo-cyclohex-3-enecarboxylateEthyl-3-hydroxy-5-oxo-cyclohex-3-ene carboxylate
Datenbank-Bezeichner
- CAS
88805-65-6- PubChem CID
- 10559379
- DTXSID
DTXSID80441694- EC Number
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 254
Physikochemische Eigenschaften
- Siedepunkt
- 299.2 · 299.2±40.0 °C(Predicted)
- Dichte
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.20(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 14-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6366；Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3735
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)
Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)
Skin irritation - category 2；Eye damage - category 1；Skin sensitisation - category 1
Skin Irrit. 2；Eye Dam. 1；Skin Sens. 1
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 14-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6366；Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3735
Sicherheitsdaten
- risk_code
- 38-41-43
- hazard_code
- Xi
- safety_code
- 24-26-37/39
Chemie und Industrie
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