2,2,6-Trimethyl-4H-1,3-dioxin-4-on
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Grundinformationen
- CAS
5394-63-8- Standard-SMILES
CC1=CC(=O)OC(C)(C)O1- InChIKey
XFRBXZCBOYNMJP-UHFFFAOYSA-N- Summenformel
- C7H10O3
- Durchschnittliche Molmasse
- 142,15 g/mol
- Monoisotopische Masse
- 142,06299418
Überblick
See also: 2,2,6-Trimethyl-1,3-dioxine-4-one (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
- IUPAC
- 2,2,6-trimethyl-1,3-dioxin-4-one
- Lokaler Name
- 2,2,6-Trimethyl-4H-1,3-dioxin-4-on
- Englischer Name
- 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
- Summenformel
- C7H10O3
- Molmasse
- 142.15
Namen und Synonyme
2,2,6-Trimethyl-4H-1,3-dioxin-4-one5394-63-82,2,6-Trimethyl-1,3-dioxin-4-oneMFCD00040468Benidipine Impurity 162,2,6-trimethyl-2,4-dihydro-1,3-dioxin-4-one4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-Diketene Acetone Adduct;2,2,6-Trimethyl-1,3-dioxen-4-oneNSC-23912,2,6-trimethyl-[1,3]dioxin-4-one2,2,4-Trimethyl-6-keto-1,3-dioxine
Weitere Namen anzeigen
TKDDiketton Acetone AdductDIKETENE ACETONE ADDUCT2,2,6-TrimethyL-4H-1,3-dioxin-4-oneDIKETE ACETONE ADDUCT2,2,6-Trimethyl-4H-1,3-dioxin-Trimethyl-(4H)-1,3-dioxin-4-one
2,2,6-trimethyl-4H-1,3-dioxine-4-one2,2-dimethyl-6-methyl-1,3-dioxin-4-one2,2,6-Trimethyl-2H,4H-1,3-dioxin-4-oneNSC2391EINECS 226-403-3EC 226-403-3PET49NW99ASCHEMBL218538
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 191
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionClear dark brown liquid; mp = 12-13 deg C; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 12 · 12-13 °C (lit.)
- Siedepunkt
- 275 °C · 275 °C
- Dichte
- 1.08 · 1.08
- Brechungsindex
- 1.46 · 1.46
- Flammpunkt
- 14 °C · 14 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- water: insoluble
- Aggregatzustand
- clear liquid to cloudy liquid
- Farbe
- Yellow to Amber to Dark purple
- Wasserlöslichkeit
- practically insoluble
- BRN
- 2408 · 2408
- InChI
- InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 62 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-
REACH registered substance: 2,2,6-trimethyl-4H-1,3-dioxin-4-one (EC: 226-403-3)
Hazards SummaryContains 5-10% acetone (CAS# 67-64-1); Causes no skin and moderate eye irritation in rabbits; Targets the liver and kidney; [Sigma-Aldrich MSDS] See delta-Undecalactone and Dimethoxane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2932999099
- risk_code
- 11-36/37/38-36
- hazard_code
- F,Xi
- safety_code
- 16-26-27-36/37/39-9-33
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
Chemie und Industrie
Anwendungen
VerwendenDiketene-Acetone Adduct can be used in place of diketene in many reactions. As a transportable form of diketene, it is especially important in those countries, where the transportation of diketene is not allowed or at least not desired.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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