CAS 1197-66-6 2,2,6,6-Tetramethyloxan-4-one (HCID 11829691)

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Grundinformationen

CAS: 1197-66-6
Standard-SMILES: CC1(C)CC(=O)CC(C)(C)O1
InChIKey: NOGFHTGYPKWWRX-UHFFFAOYSA-N
Summenformel: C9H16O2
Durchschnittliche Molmasse: 156,22 g/mol
Monoisotopische Masse: 156,11502975

Namen und Bezeichner

Bevorzugter Name: 2,2,6,6-Tetramethyloxan-4-one
IUPAC: 2,2,6,6-tetramethyloxan-4-one
Englischer Name: 2,2,6,6-tetramethyl-2H-3,5,6-trihydropyran-4-one
Summenformel: C9H16O2
Molmasse: 156.22

Namen und Synonyme

1197-66-62,2,6,6-tetramethyloxan-4-oneDTXSID20473994RefChem:242980DTXCID00424808861-075-02,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one4H-Pyran-4-one, tetrahydro-2,2,6,6-tetramethyl-Tetrahydro-2,2,6,6-tetramethylpyran-4-oneMFCD128280962,2,6,6-TETRAMETHYL-TETRAHYDRO-PYRAN-4-ONE2,2,6,6-tetramethyldihydro-2H-pyran-4(3H)-one

Weitere Namen anzeigen

2,2,6,6-tetraMethyl-tetrahydropyran-4-oneTetrahydro-2,2,6,6-tetraMethyl-4H-pyran-4-one4H-Pyran-4-one,tetrahydro-2,2,6,6-tetraMethyl-

2,2,6,6-Tetramethyltetrahydro-4H-pyran-4-one2,2,6,6-Tetramethyltetrahydropyran-4-one2,2,6,6-Tetramethyldihydropyran-4(3H)-oneSCHEMBL616425NOGFHTGYPKWWRX-UHFFFAOYSA-NBAA197662,2,6,6-Tetramethyltetrahydro-4H-AKOS015911716

Datenbank-Bezeichner

CAS: 1197-66-6
PubChem CID: 11829691
DTXSID: DTXSID20473994
EC Number: 861-075-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 12.8 °C · 12.8 °C
Siedepunkt: 73 · 73-75 °C(Press: 17 Torr)
Dichte: 0.9485 g/cm3 · 0.9485 g/cm3
storage temp.: Sealed in dry,Room Temperature
InChI: InChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3
InChIKey: NOGFHTGYPKWWRX-UHFFFAOYSA-N
SMILES: C1(C)(C)OC(C)(C)CC(=O)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

hs_code: 2914500090

Chemie und Industrie

Anwendungen

Verwenden2,2,6,6-Tetramethyl-2h-3,5,6-trihydropyran-4-one is a chemical reagent used in the synthesis of Nodulisporic Acid, a potent and systemic insecticide.