Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

HCID 10845708CAS 26845-47-6

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Grundinformationen

Standard-SMILES: COC(=O)C1CCC2(CC1)OCCO2
InChIKey: XUTIURCKMWHHLX-UHFFFAOYSA-N
Summenformel: C10H16O4
Durchschnittliche Molmasse: 200,23 g/mol
Monoisotopische Masse: 200,10485899

Namen und Bezeichner

Bevorzugter Name: Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
IUPAC: methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Englischer Name: methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Summenformel: C10H16O4
Molmasse: 200.23

Namen und Synonyme

Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate26845-47-6DTXSID00445699Methyl 1,4-dioxaspiro(4.5)decane-8-carboxylateRefChem:353233DTXCID90396520869-783-1MFCD13195278AB7519AKOS015900852CS-W018928PB42435

Weitere Namen anzeigen

1,4-Dioxaspiro[4.5]decane-8-carboxylic Acid Methyl Ester

SY108459M32734-Carbomethoxy-1-cyclohexanone ethylene ketalmethyl 1,4-dioxaspiro [4.5]decan-8-carboxylateZ1269224243methyl?1,4-dioxaspiro[4.5]decane-8-carboxylateSCHEMBL3188594XUTIURCKMWHHLX-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 26845-47-6
PubChem CID: 10845708
DTXSID: DTXSID00445699
EC Number: 869-783-1
Nikkaji: J895.429A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 44,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 210

Physikochemische Eigenschaften

Siedepunkt: 96 · 96-100 °C
Dichte: 1.15 · 1.15±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
CAS Datenbank: 26845 · 26845-47-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2932.99.9090

Chemie und Industrie

Anwendungen

Verwendenmethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate is a reagnet used in the preparation of pharmaceutical compounds such as high affinity H3 receptor agonists and reverse hydroxamate-based selective TACE inhibitors.