HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Acetoxymethyl-2-furaldehyde
5-Acetoxymehtylfurfural · 5-ACETOXYMETHYLFURFURAL · 5-FORMYLFURFURYL ACETATE · 5-ForMyl-2-furfuryl Acetate · 5-Acetoxymethylfurfural >5-Formyll-2-furfuryl acetate · 5-acetoxymethyl-2furaladehyde · 5-Acetoxymethyl-2-furaldehyde · 5-(Acetoxymethyl)furfural (AMF)
Identifiers & Physical Properties
| CAS No. | 10551-58-3 |
|---|---|
| Molecular formula | C8H8O4 |
| Average molar mass | 168.15 g/mol |
| Monoisotopic mass | 168.04225874 g/mol |
| SMILES | CC(=O)OCc1ccc(C=O)o1 |
| InChIKey | QAVITTVTXPZTSE-UHFFFAOYSA-N |
| PubChem CID | 66349 |
| EC No. | 234-137-4 |
| DTXSID | DTXSID00147166 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 56.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 178 |
| Melting point | 53-55 °C (lit.) |
| Boiling point | 122 °C / 2mmHg |
| Density | 1.230 |
| Refractive index | 1.4611 (estimate) |
| Flash point | 226 °F |
| Storage conditions | Freezer |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Crystals |
| Color | Brown |
| Sensitivity | Air Sensitive |
| 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 DataBase Reference | 10551-58-3(CAS DataBase Reference) |
| FDA UNII | 5HH6180XYD |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H335-H319 |
| GHS precautionary statements | P305+P351+P338-P261-P280a-P304+P340-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH319 (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. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H335-H319 |
| GHS precautionary statements | P305+P351+P338-P261-P280a-P304+P340-P405-P501a |
Applications & Uses
Uses
5-Acetoxymethyl-2-furaldehyde can be used for reduction of off-taste of vinegar.
General Description
5-Acetoxymethyl-2-furaldehyde is a volatile flavor compound present in berrycactus. It is a potential sweet modulator compound present in traditional balsamic vinegar of Modena.