2-Acetyl-5-methylfuran - CAS 1193-79-9
Catalog: |
BB004487 |
Product Name: |
2-Acetyl-5-methylfuran |
CAS: |
1193-79-9 |
Synonyms: |
1-(5-methyl-2-furanyl)ethanone |
IUPAC Name: | 1-(5-methylfuran-2-yl)ethanone |
Description: | 2-Acetyl-5-methylfuran is a useful research chemical and a synthesis intermediate. |
Molecular Weight: | 124.14 |
Molecular Formula: | C7H8O2 |
Canonical SMILES: | CC1=CC=C(O1)C(=O)C |
InChI: | InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3 |
InChI Key: | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
Boiling Point: | 174.56 °C (EPI 4.0) |
Purity: | 99% |
Density: | 1.06 g/cm3 |
Solubility: | Slightly soluble in water. |
Appearance: | Colorless to brown liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00003243 |
LogP: | 1.79060 |
Refractive Index: | 1.508 : 1.514 at 20 deg C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21838257 | 20110928 | Thermal decomposition of 5-(hydroxymethyl)-2-furaldehyde (HMF) and its further transformations in the presence of glycine | Journal of agricultural and food chemistry |
20817324 | 20101101 | Use of phosphonyl carbanions in the synthesis of anti-inflammatory active phosphorus-containing fused heterocycles and relevance phosphonates | European journal of medicinal chemistry |
19924760 | 20091201 | Investigation of trypanothione reductase as a drug target in Trypanosoma brucei | ChemMedChem |
17904264 | 20080101 | Monitoring cytotoxic potentials of furfuryl alcohol and 2-furyl methyl ketone in mice | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
16180806 | 20050901 | Antitubercular constituents from the stem wood of Cinnamomum kotoense | Journal of natural products |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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