4,4-Dimethoxy-2-butanone - CAS 5436-21-5
Catalog: |
BB028615 |
Product Name: |
4,4-Dimethoxy-2-butanone |
CAS: |
5436-21-5 |
Synonyms: |
4,4-dimethoxybutan-2-one |
IUPAC Name: | 4,4-dimethoxybutan-2-one |
Description: | 4,4-Dimethoxy-2-butanone (CAS# 5436-21-5) is a reactant in the synthesis of naphthalimide-naphthyridine derivatives as a fluorescent probe for the detection of hydroxyl radicals in living cells. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CC(=O)CC(OC)OC |
InChI: | InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
InChI Key: | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
Boiling Point: | 178 °C |
Melting Point: | -82 °C |
Purity: | 98 % |
Density: | 0.993 g/cm3 |
Solubility: | slightly |
Appearance: | Clear colorless to yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00008789 |
LogP: | 0.58440 |
GHS Hazard Statement: | H226 (99.93%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354578-A | Synthetic method of 2-isopropyl-3-amino-4-methylpyridine | 20210712 |
CN-113292402-A | Method for synthesizing 3, 8-dimethyl-3, 5, 7-octatriene-1, 10-dialdehyde | 20210506 |
CN-112500276-A | Synthetic method of 4, 4-dimethoxy-2-butanone | 20201119 |
WO-2021158634-A1 | Irak degraders and uses thereof | 20200203 |
CN-111039874-A | Zero-wastewater preparation method of 2-amino-4-methylpyrimidine compound | 20191213 |
PMID | Publication Date | Title | Journal |
15960529 | 20050624 | From C-glycosides to pyranopyrans: an approach to thyrsiferol using titanium(III)-promoted redox couplings | The Journal of organic chemistry |
Complexity: | 86.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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