| 5-Hydroxymethylfurfural Basic information |
| Product Name: | 5-Hydroxymethylfurfural |
| Synonyms: | 5-(HYDROXYMETHYL)FURFURAL 98%;TIMTEC-BB SBB004259;5-(Hydroxymethyl)furfural, 5-Hydroxymethyl-2-furaldehyde, 5-Hydroxymethyl-2-furancarboxaldehyde;5-(Hydroxymethyl)furfural, 5-Hydroxymethyl-2-furancarboxaldehyde;Hydroxymethylfurfuralaldehyde;5-(Hydroxymethyl)furfural ,98%;5-HMF;5-Hydroxymethyl-2-furaldehyde (stabilized with Water) |
| CAS: | 67-47-0 |
| MF: | C6H6O3 |
| MW: | 126.11 |
| EINECS: | 200-654-9 |
| Product Categories: | furnan Flavor;Heterocycles;Intermediates & Fine Chemicals;Mutagenesis Research Chemicals;Pharmaceuticals;Furans, Benzofurans & Dihydrobenzofurans;Aromatic Aldehydes & Derivatives (substituted);Aldehydes;Furans, Benzofurans & Dihydrobenzofurans;API intermediates;Detergents;chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;food additives;Inhibitors;pharmaceutical |
| Mol File: | 67-47-0.mol |
| 5-Hydroxymethylfurfural Chemical Properties |
| Melting point | 28-34 °C(lit.) |
| Boiling point | 114-116 °C1 mm Hg(lit.) |
| density | 1.243 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 175 °F |
| storage temp. | 2-8°C |
| pka | 12.82±0.10(Predicted) |
| form | Liquid or Crystalline Powder and/or Chunks |
| color | Light yellow to yellow |
| Water Solubility | Soluble in water, alcohol, ethyl acetate, , dimethylformamide, benzene, r and chloroform. |
| Sensitive | Air & Light Sensitive |
| Merck | 14,4832 |
| BRN | 110889 |
| Stability: | Light Sensitive, Very Hygroscopic |
| InChIKey | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| CAS DataBase Reference | 67-47-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Furancarboxaldehyde, 5-(hydroxymethyl)-(67-47-0) |
| EPA Substance Registry System | 2-Furancarboxaldehyde, 5-(hydroxymethyl)- (67-47-0) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-52/53 |
| Safety Statements | 26-36-24/25 |
| WGK Germany | 2 |
| RTECS | LT7031100 |
| F | 8-10 |
| TSCA | Yes |
| HS Code | 29321900 |
| Toxicity | LD50 orally in Rabbit: 2500 mg/kg |
| MSDS Information |
| Provider | Language |
|---|---|
| 5-(Hydroxymethyl)-2-furaldehyde | English |
| ACROS | English |
| SigmaAldrich | English |
| ALFA | English |
| 5-Hydroxymethylfurfural Usage And Synthesis |
| Chemical Properties | Beige Coloured Crystalline Solid |
| Uses | An antioxidant for grape and apple juice. |
| Uses | As an indicator for excess heat-treatment in sugar-containing food. |
| Definition | ChEBI: A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and espec ally by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 59, p. 7259, 1994 DOI: 10.1021/jo00103a016 |
| Safety Profile | Questionable carcinogen with experimental tumorigenic data.Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES |
| Metabolic pathway | When 5-hydroxymethyl-2-furaldehyde (HMF) is administered orally or intravenously to rats, HMF or its metabolites are rapidly eliminated in the urine with the recovery of 95 ? 100% after 24 h. HMF is completely converted to two metabolites which are identified as 5- hydroxymethyl-2-furoic acid and N-(5-hydroxymethyl-2- furoyl)glycine. |
| Purification Methods | Crystallise it from diethyl r/pet r. [Beilstein 18 III/IV 100, 18/1 V 130.] |
| 5-Hydroxymethylfurfural Preparation Products And Raw materials |
| Raw materials | 5-Butoxymethyl-furan-2-carbaldehyde |