Grundinformationen
- Standard-SMILES
CC(=O)OCc1ccc(C=O)o1- InChIKey
QAVITTVTXPZTSE-UHFFFAOYSA-N- Summenformel
- C8H8O4
- Durchschnittliche Molmasse
- 168,15 g/mol
- Monoisotopische Masse
- 168,04225874
Überblick
a sweet taste modulator; isolated from balsamic vinegar of Modena; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 5-Acetoxymethyl-2-furaldehyde
- IUPAC
- (5-formylfuran-2-yl)methyl acetate
- Lokaler Name
- 5-Formylfurfurylacetat
- Englischer Name
- 5-Acetoxymethyl-2-furaldehyde
- Summenformel
- C8H8O4
- Molmasse
- 168.15
Namen und Synonyme
5-Acetoxymethyl-2-furaldehydeRefChem:53604510551-58-3(5-formylfuran-2-yl)methyl acetate5-Formylfurfuryl acetate5-Acetoxymethylfurfural5-(ACETOXYMETHYL)FURFURAL(5-Formyl-2-furyl)methyl acetateMFCD000032332-Furancarboxaldehyde, 5-[(acetyloxy)methyl]-5HH6180XYD5-acetoxymethyl-2-furanaldehyde
Weitere Namen anzeigen
5-Acetoxymehtylfurfural5-ForMyl-2-furfuryl Acetate5-Acetoxymethylfurfural >5-Formyll-2-furfuryl acetate5-acetoxymethyl-2furaladehyde5-(Acetoxymethyl)furfural (AMF)
5-ACETOXYMETHYL-2-FURFURAL5-Acetoxymethyl-2-furaldehyde, 99%AKOS0159134435-(acetyloxy) methyl-2-furancarboxaldehyde5-ACETOXYMETHYL-2-FURANCARBOXALDEHYDE2-FURANCARBOXALDEHYDE, 5-((ACETYLOXY)METHYL)-UNII-5HH6180XYDEINECS 234-137-4
Datenbank-Bezeichner
- CAS
10551-58-3- PubChem CID
- 66349
- DTXSID
DTXSID00147166- UNII
- 5HH6180XYD
- EC Number
- 234-137-4
- Nikkaji
- J37.050I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 56,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-55 °C (lit.)
- Siedepunkt
- 122 °C · 122 °C / 2mmHg
- Dichte
- 1.23 · 1.230
- Brechungsindex
- 1.4611 · 1.4611 (estimate)
- Flammpunkt
- 226 °F · 226 °F
- storage temp.
- Freezer
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Crystals
- Farbe
- Brown
- InChI
- 1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
- InChIKey
- QAVITTVTXPZTSE-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(COC(C)=O)o1
- CAS Datenbank
- 10551 · 10551-58-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29321900
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Acetoxymethyl-2-furaldehyde can be used for reduction of off-taste of vinegar.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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