Grundinformationen
- CAS
19322-27-1- Standard-SMILES
CC1=C(O)C(=O)CO1- InChIKey
DLVYTANECMRFGX-UHFFFAOYSA-N- Summenformel
- C5H6O3
- Durchschnittliche Molmasse
- 114,1 g/mol
- Monoisotopische Masse
- 114,03169405
Überblick
4-hydroxy-5-methyl-3-furanone is a member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3. It has a role as a metabolite. It is a member of furans, an enol and a cyclic ketone. It is functionally related to a 5-methyl-2,3-dihydrofuran.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxy-5-methyl-3(2H)-furanone
- IUPAC
- 4-hydroxy-5-methylfuran-3-one
- Lokaler Name
- 4-Hydroxy-5-methylfuran-3(2H)-on
- Englischer Name
- 4-Hydroxy-5-methyl-3-furanone
- Summenformel
- C5H6O3
- Molmasse
- 114.1
Namen und Synonyme
19322-27-14-Hydroxy-5-methylfuran-3(2H)-one4-Hydroxy-5-methyl-3-furanonenorfuraneol4-Hydroxy-5-methyl-3(2H)-furanone3(2H)-Furanone, 4-hydroxy-5-methyl-5-Methyl-4-hydroxy-3(2H)-furanone4-Hydroxy-5-methyl-2,3-dihydrofuran-3-oneFEMA No. 36354-hydroxy-5-methylfuran-3-oneDTXSID9047417CHEBI:74456
Weitere Namen anzeigen
FEMA 3635CHICORY FURANEOLNorfuronolChicory ketonetoffee furanone4-HYROXY-5-METHYL-3-FURANONE
MTB57102LQDTXCID70274175-METHYL-4-HYDROXY-2,3-DIHYDROFURAN-3-ONE4HM-furanoneRefChem:99224242-961-0MFCD02752619EINECS 242-961-0
Datenbank-Bezeichner
- CAS
19322-27-1- PubChem CID
- 4564493
- DTXSID
DTXSID9047417
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 157
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water; Slightly soluble in fats
Soluble (in ethanol)
Melting Point126.6 - 127.5 °C
Physical Description
Solid
Colourless to white solid; Fruity caramel or burnt pineapple aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- 129 · 129-133 °C(lit.)
- Siedepunkt
- 218.3 · 218.3±40.0 °C(Predicted)
- Dichte
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- FEMA
- 3635 · 3635 | 4-HYDROXY-5-METHYL-3(2H)-FURANONE
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
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
This chemical does not meet GHS hazard criteria for 0.9% (12 of 1378) of reports.
Warning
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1378 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 3(2H)-Furanone, 4-hydroxy-5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3(2H)-Furanone, 4-hydroxy-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (99.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3(2H)-Furanone, 4-hydroxy-5-methyl-: ACTIVE
Anwendungen
OccurrenceReported found in beef broth, guava, raspberry and shoyu (fermented soya hydrolysate)
Verwenden4-Hydroxy-5-methyl-3-furanone may be used in oxidoreductase assay for the evaluation of oxidoreductase activity.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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