Hydroxyacetone - CAS 116-09-6
Catalog: |
BB003710 |
Product Name: |
Hydroxyacetone |
CAS: |
116-09-6 |
Synonyms: |
1-hydroxypropan-2-one |
IUPAC Name: | 1-hydroxypropan-2-one |
Description: | Hydroxyacetone (CAS# 116-09-6) is a chemical reagent used in various organic chemical reactions. It is a component of the Mannich reaction, amino acid caalyzes direct asymmetric aldol reactions. In the pharmaceutical setting, this compound is used in the synthesis of imidazoles acting as potent and orally active antihypertensive agents. |
Molecular Weight: | 74.08 |
Molecular Formula: | C3H6O2 |
Canonical SMILES: | CC(=O)CO |
InChI: | InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 |
InChI Key: | XLSMFKSTNGKWQX-UHFFFAOYSA-N |
Boiling Point: | 145-146 °C |
Melting Point: | -17 °C |
Purity: | Techincal grade |
Density: | 1.082 g/cm3 |
Solubility: | 1.00E+06 mg/L at 20 °C (exp) |
Appearance: | Colourless to yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD00004669 |
LogP: | -0.43230 |
Vapor Pressure: | 2.95 [mmHg] |
GHS Hazard Statement: | H226 (100%): 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-113429285-A | Method for synthesizing hydroxyacetone ester compounds based on methylene aziridine | 20210827 |
CN-113480052-A | Diatomite papermaking sewage treatment equipment and treatment method | 20210816 |
CN-113373403-A | Surface modification method based on gas nitriding | 20210812 |
CN-113479857-A | Crystal red phosphorus II type nanobelt material and preparation method thereof | 20210803 |
CN-113307439-A | Treatment method of isopropanol waste liquid in integrated circuit industry | 20210802 |
PMID | Publication Date | Title | Journal |
23090634 | 20121205 | Proton transfer reactions between nitric acid and acetone, hydroxyacetone, acetaldehyde and benzaldehyde in the solid phase | Physical chemistry chemical physics : PCCP |
22639365 | 20120801 | Fractionation of sugarcane bagasse using a combined process of dilute acid and ionic liquid treatments | Applied biochemistry and biotechnology |
22705522 | 20120801 | Yeast fermentation of carboxylic acids obtained from pyrolytic aqueous phases for lipid production | Bioresource technology |
22747497 | 20120725 | Polyphenolic constituents of Cynomorium songaricum Rupr. and antibacterial effect of polymeric proanthocyanidin on methicillin-resistant Staphylococcus aureus | Journal of agricultural and food chemistry |
22250921 | 20120621 | Unusually fast 1,6-h shifts of enolic hydrogens in peroxy radicals: formation of the first-generation C2 and C3 carbonyls in the oxidation of isoprene | The journal of physical chemistry. A |
Complexity: | 40.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 74.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 74.036779430 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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