HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(Methoxymethyl)-2-furaldehyde
AKOS B001201 · )furan-2-carbaL · ART-CHEM-BB B001201 · Furfural Impurity 35 · 5-(Methoxymethyl)furfural · 5-(Methoxymethyl)-2-furaldehyde · 5-METHOXYMETHYL-FURAN-2-CARBALDEHYDE · 5-(Methoxymethyl)furan-2-carboxaldehyde
Identifiers & Physical Properties
| CAS No. | 1917-64-2 |
|---|---|
| Molecular formula | C7H8O3 |
| Average molar mass | 140.14 g/mol |
| Monoisotopic mass | 140.04734411 g/mol |
| SMILES | COCc1ccc(C=O)o1 |
| InChIKey | ASHVULSQMDWKFO-UHFFFAOYSA-N |
| PubChem CID | 74711 |
| ChEBI | CHEBI:229022 |
| EC No. | 700-511-5 |
| DTXSID | DTXSID30172704 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 39.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 113 |
| Melting point | -8 °C |
| Boiling point | 68-70 °C(Press: 2 Torr) |
| Density | 1.146 g/cm3(Temp: 17.9 °C) |
| Vapor pressure | 1.8-3.2Pa at 20-25℃ |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | liquid |
| Color | 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 (partition coefficient) | 0.23 at 20℃ and pH6.4-6.6 |
| Surface tension | 70.8mN/m at 1g/L and 20℃ |
| FDA UNII | 5XBV4H5CX7 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Customs code | 2932190090 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH315 (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. |
|---|---|
| Regulatory information | Status: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Sens. 1B (100%)Eye Irrit. 2 (66.7%)Aquatic Chronic 1 (66.7%)Aquatic Chronic 2 (33.3%) |
| Customs code | 2932190090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302 |
| REACH registrations | Active |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
5-Methoxymethylfurfural can be useful in the selective synthesis of 2-furoic acid and 5-hydroxymethyl-2-furancarboxylic acid from bio-based furans by recombinant Escherichia coli cells.