5-Hydroxymethyl-2-furaldehyde - CAS 67-47-0
Catalog: |
BB033285 |
Product Name: |
5-Hydroxymethyl-2-furaldehyde |
CAS: |
67-47-0 |
Synonyms: |
Glucosamine EP Impurity E; 5-hydroxy-methylfurfural |
Application: |
antioxidative |
IUPAC Name: | 5-(hydroxymethyl)furan-2-carbaldehyde |
Description: | 5-Hydroxymethylfurfural, found in rhizome of Typhonium giganteum Engl in natural, has antioxidative activity and is therefore used as an acting agent in a novel anticancer infusion solution, named Karal®, and an oral supplementation. |
Molecular Weight: | 126.11 |
Molecular Formula: | C6H6O3 |
Canonical SMILES: | C1=C(OC(=C1)C=O)CO |
InChI: | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
InChI Key: | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
Boiling Point: | 114-116 °C (1 torr) |
Melting Point: | 32-33 °C |
Purity: | > 98 % |
Density: | 1.243 g/mL at 25 °C (lit.) |
Solubility: | Freely soluble in methanol, ethanol, acetone, ethyl acetate, dimethylformamide. Soluble in ether, benzene, chloroform. Less soluble in carbon tetrachloride. Sparingly soluble in petroleum ether. |
Appearance: | Solid |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
MDL: | MFCD00003234 |
LogP: | 0.58440 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.5627 at 18 °C |
Vapor Pressure: | 0.00528 [mmHg] |
GHS Hazard Statement: | H315 (67.66%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
PH-22021051056-U1 | Process for producing 5-hydroxymethylfurfural from biomass | 20210915 |
CN-113426261-A | Method for electrochemically removing oxygen in mixed gas | 20210826 |
CN-113502301-A | Method for increasing yield of ethanol prepared from distilled spirit distiller grains | 20210826 |
CN-113457209-A | Preparation method and application of dried orange peel spice | 20210820 |
AU-2021105345-A4 | Processing methods of wine-processed polygonatum sibirifum | 20210812 |
PMID | Publication Date | Title | Journal |
32434851 | 20200701 | 5-Hydroxymethyl-Furfural and Structurally Related Compounds Block the Ion Conductance in Human Aquaporin-1 Channels and Slow Cancer Cell Migration and Invasion | Molecular pharmacology |
28337324 | 20170309 | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin | ACS medicinal chemistry letters |
25370010 | 20160101 | Bioactivation of food genotoxicants 5-hydroxymethylfurfural and furfuryl alcohol by sulfotransferases from human, mouse and rat: a comparative study | Archives of toxicology |
24802551 | 20140616 | Enzyme-catalyzed oxidation of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid | Angewandte Chemie (International ed. in English) |
24271187 | 20140201 | Discovery and characterization of a 5-hydroxymethylfurfural oxidase from Methylovorus sp. strain MP688 | Applied and environmental microbiology |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.031694049 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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