5-(Methoxymethyl)-2-furaldehyde

HCID 74711CAS 1917-64-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COCc1ccc(C=O)o1
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
Summenformel: C7H8O3
Durchschnittliche Molmasse: 140,14 g/mol
Monoisotopische Masse: 140,04734411

Namen und Bezeichner

Bevorzugter Name: 5-(Methoxymethyl)-2-furaldehyde
IUPAC: 5-(methoxymethyl)furan-2-carbaldehyde
Englischer Name: 5-(Methoxymethyl)-2-furaldehyde
Summenformel: C7H8O3
Molmasse: 140.14

Namen und Synonyme

5-(methoxymethyl)furan-2-carbaldehyde5-(METHOXYMETHYL)-2-FURALDEHYDE5-(Methoxymethyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(methoxymethyl)-5-methoxymethylfurfural5XBV4H5CX7DTXSID30172704EC 700-511-5RefChem:531367DTXCID3095195700-511-51917-64-2

Weitere Namen anzeigen

AKOS B001201)furan-2-carbaLART-CHEM-BB B001201Furfural Impurity 355-(Methoxymethyl)furfural5-METHOXYMETHYL-FURAN-2-CARBALDEHYDE2-Furancarboxaldehyde,5-(methoxymethyl)-

5-Methoxymethylfuran-2-carbaldehyde5-Methoxymethyl furfuralMFCD02253954ICCB1_0000905-(Methoxymethyl)furan-2-carboxaldehydeUNII-5XBV4H5CX75-Methoxymethyl-2-furaldehydeSCHEMBL721921

Datenbank-Bezeichner

CAS: 1917-64-2
PubChem CID: 74711
DTXSID: DTXSID30172704
ChEBI: CHEBI:229022
UNII: 5XBV4H5CX7
EC Number: 700-511-5
Nikkaji: J358.089J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 39,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 113

Physikochemische Eigenschaften

Schmelzpunkt: -8 °C · -8 °C
Siedepunkt: 68 · 68-70 °C(Press: 2 Torr)
Dichte: 1.146 g/cm3 · 1.146 g/cm3(Temp: 17.9 °C)
Dampfdruck: 1.8 · 1.8-3.2Pa at 20-25℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
Farbe: Light yellow to yellow
InChI: InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
SMILES: O1C(COC)=CC=C1C=O
LogP: 0.23 at · 0.23 at 20℃ and pH6.4-6.6
Oberflächenspannung: 70.8 mN/m · 70.8mN/m at 1g/L and 20℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.