3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-on

3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one

HCID 587968CAS 69225-59-8

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Grundinformationen

Standard-SMILES: CC1(C)COC2(CCC(=O)CC2)OC1
InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N
Summenformel: C11H18O3
Durchschnittliche Molmasse: 198,26 g/mol
Monoisotopische Masse: 198,12559444

Namen und Bezeichner

Bevorzugter Name: 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one
IUPAC: 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
Lokaler Name: 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-on
Englischer Name: 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)
Summenformel: C11H18O3
Molmasse: 198.26

Namen und Synonyme

69225-59-83,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-oneEINECS 273-918-4DTXSID10219262RefChem:485427DTXCID30141753273-918-41,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)1,4-Cyclohexanedione Mono-2,2-dimethyltrimethylene KetalMFCD000066521,5-Dioxaspiro[5.5]undecan-9-one, 3,3-dimethyl-

Weitere Namen anzeigen

ene ketaLohexanedione mono-2,2-dimethyL1,4-CYCLOHEXANEDIONE MONONEOPENTYL KETAL,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-8-one1,5-Dioxaspiro[5.5]undecan-9-one,3,3-diMethyl-1,4-cyclohexanedione mono-2,2-dimethyl-trimethyle1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene

3,3-Dimethyl-1,5-dioxa-spiro[5.5]undecan-9-one9,9-dimethyl-7,11-dioxaspiro[5.5]undecan-3-oneSCHEMBL657653AC-14351,5-Dioxaspiro[5,5]undecan-9-one, 3,3-dimethyl-Q633923801,4-Cyclohexanedione, mono-2,2-dimethyltrimethylene-, ketal3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;

Datenbank-Bezeichner

CAS: 69225-59-8
PubChem CID: 587968
DTXSID: DTXSID10219262
EC Number: 273-918-4
Nikkaji: J261.000K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Schmelzpunkt: 45 · 45-50 °C(lit.)
Siedepunkt: 70 °C · 70 °C(Press: 0.05 Torr)
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetone, Dichloromethane, Ethyl Acetate, Methanol,
Aggregatzustand: Solid
Farbe: White
BRN: 3541930 · 3541930
InChI: InChI=1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3
InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N
SMILES: O1C2(CCC(=O)CC2)OCC(C)(C)C1
CAS Datenbank: 69225 · 69225-59-8(CAS DataBase Reference)

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.