4-methyloxane-2,6-dione - CAS 4166-53-4
Catalog: |
BB024928 |
Product Name: |
4-methyloxane-2,6-dione |
CAS: |
4166-53-4 |
Synonyms: |
4-methyloxane-2,6-dione; 4-methyloxane-2,6-dione |
IUPAC Name: | 4-methyloxane-2,6-dione |
Description: | Stability: Moisture Sensitive. Applications: 3-Methylglutaric Anhydride is a reagent used in the synthesis of oxoeicosanoid receptor antagonists which are involved in mediating stimulatory effects on cell types involved in mediating immunity-based inflammatory reactions. |
Molecular Weight: | 128.127 |
Molecular Formula: | C6H8O3 |
Canonical SMILES: | CC1CC(=O)OC(=O)C1 |
InChI: | InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3 |
InChI Key: | MGICRVTUCPFQQZ-UHFFFAOYSA-N |
Boiling Point: | 180-182 °C25 mmHg (lit.) |
Melting Point: | 42-46 °C (lit.) |
Flash Point: | >230 °F |
Purity: | 98 % |
Density: | 1.2072 (rou gh estimate) |
Appearance: | Off-white solid |
Storage: | -20 °C Freezer, Under inert atmosphere |
MDL: | MFCD00006683 |
LogP: | 0.48610 |
Refractive Index: | 1.4585 (estimate) |
GHS Hazard Statement: | H315 (100%): 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 |
23020577 | 20121019 | Studies on catalytic enantioselective total synthesis of caprazamycin B: construction of the western zone | The Journal of organic chemistry |
20414238 | 20100501 | Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride | Nature chemistry |
18755512 | 20081201 | Novel bis(carboxylato)dichlorido(ethane-1,2-diamine)platinum(IV) complexes with exceptionally high cytotoxicity | Journal of inorganic biochemistry |
18419148 | 20080501 | Preparation of pH-sensitive poly(glycidol) derivatives with varying hydrophobicities: their ability to sensitize stable liposomes to pH | Bioconjugate chemistry |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.047344113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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