4,4-Dimethyldihydrofuran-2,3-dione - CAS 13031-04-4
Catalog: |
BB007080 |
Product Name: |
4,4-Dimethyldihydrofuran-2,3-dione |
CAS: |
13031-04-4 |
Synonyms: |
4,4-dimethyloxolane-2,3-dione; 4,4-dimethyloxolane-2,3-dione |
Application: |
4,4-dimethyldihydrofuran-2,3-dione (cas# 13031-04-4) is a useful research chemical. |
IUPAC Name: | 4,4-dimethyloxolane-2,3-dione |
Description: | An impurity of Dexpanthenol which acts as a precursor of coenzyme A necessary for acetylation reactions. |
Molecular Weight: | 128.13 |
Molecular Formula: | C6H8O3 |
Canonical SMILES: | CC1(COC(=O)C1=O)C |
InChI: | InChI=1S/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3 |
InChI Key: | HRTOQFBQOFIFEE-UHFFFAOYSA-N |
Boiling Point: | 260.5 ℃ at 760 mmHg |
Purity: | > 95 % |
Density: | 1.152 g/cm3 |
Solubility: | Inert atmosphere, 2-8℃ |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD00012331 |
LogP: | 0.13850 |
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 |
Publication Number | Title | Priority Date |
CN-111534562-A | Preparation method of D-pantoic acid | 20200619 |
US-2021171688-A1 | Biocompatible copolymer, curable composition, biocompatible coating layer and biocompatible device including the same | 20191206 |
US-2021094933-A1 | Rapafucin derivative compounds and methods of use thereof | 20191001 |
WO-2021067439-A1 | Rapafucin derivative compounds and methods of use thereof | 20191001 |
CN-110452861-B | Genetic recombinant engineering bacterium and application thereof in catalytic synthesis of D-pantanolide | 20190710 |
PMID | Publication Date | Title | Journal |
22398860 | 20120701 | L-pantoyl lactone dehydrogenase from Rhodococcus erythropolis: genetic analyses and application to the stereospecific oxidation of L-pantoyl lactone | Applied microbiology and biotechnology |
19923737 | 20091101 | Expression, purification, crystallization and preliminary X-ray analysis of conjugated polyketone reductase C2 (CPR-C2) from Candida parapsilosis IFO 0708 | Acta crystallographica. Section F, Structural biology and crystallization communications |
19642678 | 20090902 | Shape-selective enantioselective hydrogenation on Pt nanoparticles | Journal of the American Chemical Society |
17676845 | 20070829 | Role of guiding groups in cinchona-modified platinum for controlling the sense of enantiodifferentiation in the hydrogenation of ketones | Journal of the American Chemical Society |
17285287 | 20070501 | Synthesis of chiral alpha-hydroxy amides by two sequential enzymatic catalyzed reactions | Applied microbiology and biotechnology |
Complexity: | 169 |
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: | 0.6 |
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