Grundinformationen
- Standard-SMILES
O=C1CCOCC1- InChIKey
JMJRYTGVHCAYCT-UHFFFAOYSA-N- Summenformel
- C5H8O2
- Durchschnittliche Molmasse
- 100,12 g/mol
- Monoisotopische Masse
- 100,0524295
Namen und Bezeichner
- Bevorzugter Name
- Tetrahydro-4H-pyran-4-one
- IUPAC
- oxan-4-one
- Lokaler Name
- Tetrahydro-4H-pyran-4-on
- Englischer Name
- Tetrahydro-4H-pyran-4-one
- Summenformel
- C5H8O2
- Molmasse
- 100.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
29943-42-8- PubChem CID
- 121599
- DTXSID
DTXSID70184048- UNII
- N8SV5GRB9E
- EC Number
- 249-967-2
- Nikkaji
- J119.557C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 70,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 166 · 166-166.5 °C (lit.)
- Dichte
- 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.452(lit.)
- Flammpunkt
- 134 °F · 134 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to pale yellow
- Wasserlöslichkeit
- MISCIBLE
- BRN
- 106463 · 106463
- InChI
- 1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
- InChIKey
- JMJRYTGVHCAYCT-UHFFFAOYSA-N
- SMILES
- O=C1CCOCC1
- CAS Datenbank
- 29943 · 29943-42-8(CAS DataBase Reference)
- NIST chemische Informationen
- 4 H-Pyran-4-one, · 4H-Pyran-4-one, tetrahydro-(29943-42-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.6% (1 of 61) of reports.
Warning
H226 (95.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 03-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28417
TETRAHYDRO-4H-PYRAN-4-ONE: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 10
- wgk
- 3
- ridadr
- UN 1224 3/PG 3
- hs_code
- 29329995
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
- hazard_note
- Keep Cold/Flammable/Irritant
- safety_code
- 24/25-36-26
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Anwendungen
VerwendenTetrahydro-4-pyrone is used in organic synthesis as building block for more complex chemical structures because it participate in a variety of cycloaddition reactions.
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