3,3-Dimethoxy-2-butanone - CAS 21983-72-2
Catalog: |
BB017241 |
Product Name: |
3,3-Dimethoxy-2-butanone |
CAS: |
21983-72-2 |
Synonyms: |
3,3-dimethoxybutan-2-one |
IUPAC Name: | 3,3-dimethoxybutan-2-one |
Description: | 3,3-Dimethoxy-2-butanone (CAS# 21983-72-2) is used in preparation of 3-acetylpyrazole. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CC(=O)C(C)(OC)OC |
InChI: | InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3 |
InChI Key: | UFQBSPGKRRSATO-UHFFFAOYSA-N |
Boiling Point: | 145-146 °C |
Purity: | 95 % |
Density: | 0.987 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00075266 |
LogP: | 0.58440 |
GHS Hazard Statement: | H226 (97.62%): 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-111138289-A | Compound and process for synthesizing 5-acetyl-1H-pyrazole-3-carboxylic acid by using same | 20200227 |
WO-2020023628-A1 | Compounds, derivatives, and analogs for cancer | 20180724 |
EP-3826988-A1 | Compounds, derivatives, and analogs for cancer | 20180724 |
AU-2018332501-A1 | Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia | 20170913 |
CA-3075707-A1 | Heteroaryl substituted beta-hydroxyethylamines for use in treating hyperglycaemia | 20170913 |
Complexity: | 105 |
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: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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