Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate

HCID 10488810

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1489-97-0
Standard-SMILES: CCOC(=O)C1CCC2(CC1)OCCO2
InChIKey: UXXWGBLTOSRBAY-UHFFFAOYSA-N
Summenformel: C11H18O4
Durchschnittliche Molmasse: 214,26 g/mol
Monoisotopische Masse: 214,12050906

Namen und Bezeichner

Bevorzugter Name: Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
IUPAC: ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Englischer Name: ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Summenformel: C11H18O4
Molmasse: 214.26

Namen und Synonyme

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate1489-97-0DTXSID30440753Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylateRefChem:341926DTXCID90391575886-507-51,4-Dioxaspiro[4.5]decane-8-carboxylic acid, ethyl ester1,4-dioxaspiro[4.5]decane-8-carboxylic acid ethyl esterMFCD002055821,4-dioxa-spiro[4.5]decane-8-carboxylic acid ethyl esterSCHEMBL5618

Weitere Namen anzeigen

1,4-dioxaspiro[4.5]decane-8-carboxylate129311dioxaspiro[4.5]decane-8-carboxyLdioxaspiro[4.5]decane-8-carboxylate1,4-Dioxa-8-carboethoxyspiro[4.5]decaneEthyl 1,4-Dioxaspiro[4.5]decan-8-carboxylateEthyl cyclohexanone-4-carboxylate ethylene ketalEthyl 4-Oxocyclohexanecarboxylate Ethylene Ketal

1,4-Dioxa-8-carboethoxyspiro[4.5]decane; Ethyl 1,4-Dioxaspiro[4.5]decan-8-carboxylate; Ethyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate; Ethyl 4-Oxocyclohexanecarboxylate Ethylene KetalUXXWGBLTOSRBAY-UHFFFAOYSA-NAB7195AKOS024258334CS-W005328DS-7731SB33758SY039250

Datenbank-Bezeichner

CAS: 1489-97-0
PubChem CID: 10488810
DTXSID: DTXSID30440753
EC Number: 886-507-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 44,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Siedepunkt: 293 · 293.0±40.0 °C(Predicted)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Dichloromethane, Ethyl Acetate
InChI: InChI=1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3
InChIKey: UXXWGBLTOSRBAY-UHFFFAOYSA-N
SMILES: O1C2(CCC(C(OCC)=O)CC2)OCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

Verwendenethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate can be used in the preparation of arylcyclohexanones analgesics, metalloproteinase inhibitors, benzimidazole derivatives as therapeutic TRPM8 receptor modulators and aposptosis inducing agents.