Tetrahydro-2,6-dimethyl-4H-pyran-4-one

HCID 70626CAS 1073-79-6

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Grundinformationen

Standard-SMILES: CC1CC(=O)CC(C)O1
InChIKey: FZXBJPDVINOGBR-UHFFFAOYSA-N
Summenformel: C7H12O2
Durchschnittliche Molmasse: 128,17 g/mol
Monoisotopische Masse: 128,08372962

Namen und Bezeichner

Bevorzugter Name: Tetrahydro-2,6-dimethyl-4H-pyran-4-one
IUPAC: 2,6-dimethyloxan-4-one
Englischer Name: 2,6-Dimethyltetrahydro-4H-pyran-4-one
Summenformel: C7H12O2
Molmasse: 128.17

Namen und Synonyme

1073-79-64H-Pyran-4-one, tetrahydro-2,6-dimethyl-Tetrahydro-2,6-dimethyl-4H-pyran-4-oneRefChem:10996772,6-Dimethyldihydro-2H-pyran-4(3H)-one2,6-dimethyltetrahydro-4h-pyran-4-one2,6-dimethyloxan-4-oneMFCD016939652,6-Dimethyl-tetrahydro-pyran-4-one2,6-dimethyltetrahydropyran-4-one(2R,6R)-2,6-DIMETHYLOXAN-4-ONEtrans-2,6-Dimethyloxan-4-one

Weitere Namen anzeigen

SKL6062,6-dimethyl-4-oxanone2,6-Dimethyltetrahydro-4-pyrone2,6-dimethyltetrahydro-1,4-pyronetetrahydro-2,6-dimethyl-4h-pyran-4-on2,6-Dimethyl-4-oxotetrahydro-2H-pyran

54513-59-6Dimethyltetrahydropyrone(2S,6S)-2,6-dimethyloxan-4-one2,6-Dimethyl tetrahydro-1,4-pyroneAI3-144104H-Pyran-4-one, tetrahydro-2,6-dimethyl-, cis-SCHEMBL614073DTXSID90910285

Datenbank-Bezeichner

CAS: 1073-79-6、54513-59-6
PubChem CID: 70626
DTXSID: DTXSID90910285
EC Number: 142-749-7
Nikkaji: J125.947D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Siedepunkt: 177.6 °C · 177.6°C (rough estimate)
Dichte: 0.9805 · 0.9805 (rough estimate)
Brechungsindex: 1.45 · 1.4500 (estimate)
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Pale yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.