2(5H)-Furanone - CAS 497-23-4
Catalog: |
BB026810 |
Product Name: |
2(5H)-Furanone |
CAS: |
497-23-4 |
Synonyms: |
2H-furan-5-one; 2H-furan-5-one |
IUPAC Name: | 2H-furan-5-one |
Description: | 2(5H)-Furanone (CAS# 497-23-4) is a heterocyclic organic compound that is used widely in the synthetic preparation of pharmaceutical goods. |
Molecular Weight: | 84.07 |
Molecular Formula: | C4H4O2 |
Canonical SMILES: | C1C=CC(=O)O1 |
InChI: | InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 |
InChI Key: | VIHAEDVKXSOUAT-UHFFFAOYSA-N |
Boiling Point: | 86-87 °C (12 mmHg) |
Melting Point: | 4-5 °C |
Flash Point: | 101 °C (214 °F) (Closed cup) |
Density: | 1.185 g/cm3 |
Solubility: | In water, 8.50X10+5 mg/L at 25 °C (est) |
Appearance: | Liquid |
MDL: | MFCD00005376 |
LogP: | 0.09940 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.981 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H315: Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
30244016 | 20181215 | Impact of glutathione modulation on the toxicity of the Fusarium mycotoxins deoxynivalenol (DON), NX-3 and butenolide in human liver cells | Toxicology letters |
29016131 | 20171027 | Metabolites from the Plant Endophytic Fungus Aspergillus sp. CPCC 400735 and Their Anti-HIV Activities | Journal of natural products |
23867916 | 20130912 | Alpha, beta-unsaturated lactones 2-furanone and 2-pyrone induce cellular DNA damage, formation of topoisomerase I- and II-DNA complexes and cancer cell death | Toxicology letters |
23046112 | 20121201 | Molecular aspects of the antagonistic interaction of smoke-derived butenolides on the germination process of Grand Rapids lettuce (Lactuca sativa) achenes | The New phytologist |
22884365 | 20121101 | Effect of furanone on experimentally induced Pseudomonas aeruginosa biofilm formation: in vitro study | International journal of pediatric otorhinolaryngology |
Complexity: | 93.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.021129366 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.021129366 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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