2,2-Dimethyl-1,3-dioxane-4,6-dione - CAS 2033-24-1
Catalog: |
BB015812 |
Product Name: |
2,2-Dimethyl-1,3-dioxane-4,6-dione |
CAS: |
2033-24-1 |
Synonyms: |
1,3-Dioxane-4,6-dione, 2,2-dimethyl-; Malonic acid, cyclic isopropylidene ester; 2,2-Dimethyl-1,3-dioxan-4,6-dione; 2,2-Dimethyl-4,6-dioxo-1,3-dioxane; 2,2-Dimethyl-m-dioxane-4,6-dione; 2,2-Propanediol cyclic malonate; Cyclic isopropylidene malonate; Isopropylidene malonate; Meldrum's acid; Meldrumic acid; N,N-Dimethyl-1-4-aminobilidine; NSC 688343; NSC 71902 |
Related CAS: | 2550393-68-3 (Deleted CAS)
|
IUPAC Name: | 2,2-dimethyl-1,3-dioxane-4,6-dione |
Description: | 2,2-Dimethyl-1,3-dioxane-4,6-dione is an antimicrobial agent with deodorizing components. It is also a bactericide, disinfectant and antiseptic. |
Molecular Weight: | 144.13 |
Molecular Formula: | C6H8O4 |
Canonical SMILES: | CC1(OC(=O)CC(=O)O1)C |
InChI: | InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3 |
InChI Key: | GXHFUVWIGNLZSC-UHFFFAOYSA-N |
Boiling Point: | 116-120°C at 14 Torr |
Melting Point: | 94°C |
Purity: | ≥95% |
Density: | 1.201±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00006638 |
LogP: | 0.21260 |
GHS Hazard Statement: | H315 (51.52%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23030714 | 20121024 | Palladium-catalyzed diastereo- and enantioselective formal [3 + 2]-cycloadditions of substituted vinylcyclopropanes | Journal of the American Chemical Society |
22899180 | 20120924 | Self-assembled Pd6 open cage with triimidazole walls and the use of its confined nanospace for catalytic Knoevenagel- and Diels-Alder reactions in aqueous medium | Chemistry (Weinheim an der Bergstrasse, Germany) |
22934652 | 20120920 | Methyliminopropadienone CH3-N═C═C═C═O: photoelectron spectrum and electronic structure | The journal of physical chemistry. A |
22876815 | 20120907 | Fluorinated alcohols as promoters for the metal-free direct substitution reaction of allylic alcohols with nitrogenated, silylated, and carbon nucleophiles | The Journal of organic chemistry |
22697467 | 20120706 | Carbon-based leaving group in substitution reactions: functionalization of sp3-hybridized quaternary and tertiary benzylic carbon centers | Organic letters |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04225873 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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