4,6-Dimethyl-α-pyrone - CAS 675-09-2
Catalog: |
BB033297 |
Product Name: |
4,6-Dimethyl-α-pyrone |
CAS: |
675-09-2 |
Synonyms: |
4,6-dimethylpyran-2-one |
IUPAC Name: | 4,6-dimethylpyran-2-one |
Description: | 4,6-Dimethyl-α-pyrone (CAS# 675-09-2 ) is a useful research chemical. |
Molecular Weight: | 124.14 |
Molecular Formula: | C7H8O2 |
Canonical SMILES: | CC1=CC(=O)OC(=C1)C |
InChI: | InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3 |
InChI Key: | IXYLIUKQQQXXON-UHFFFAOYSA-N |
Boiling Point: | 245 °C |
Melting Point: | 48-50 °C |
Flash Point: | 90.1°C |
Purity: | 95 % |
Density: | 1.065 g/cm3 |
Appearance: | Yellow solid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00075555 |
LogP: | 1.25660 |
Refractive Index: | 1.485 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020125747-A1 | Crystal form and amorphous form of mek inhibitor and applications thereof | 20181221 |
WO-2019183577-A1 | Modulators of g-protein coupled receptors | 20180323 |
EP-3768294-A1 | Modulators of g-protein coupled receptors | 20180323 |
US-2021032561-A1 | Fragrance compositions and uses thereof | 20180207 |
EP-3643308-A1 | Coumarin-like cyclic compound as mek inhibitor and use thereof | 20170623 |
PMID | Publication Date | Title | Journal |
22925447 | 20120915 | Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action | Bioorganic & medicinal chemistry |
22137345 | 20120101 | 5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors | Bioorganic & medicinal chemistry letters |
21898887 | 20110829 | Unprecedented synthesis of 1,3-dimethylcyclobutadiene in the solid state and aqueous solution | Chemistry (Weinheim an der Bergstrasse, Germany) |
20647461 | 20100716 | Single-crystal X-ray structure of 1,3-dimethylcyclobutadiene by confinement in a crystalline matrix | Science (New York, N.Y.) |
16536586 | 20060322 | Antifungal activity of 4-methyl-6-alkyl-2H-pyran-2-ones | Journal of agricultural and food chemistry |
Complexity: | 199 |
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: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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