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Hydroxyacetone

CAT: 0804-HY-Y1366-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1366-01Size:5 g
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Description
Hydroxyacetone is a dehydration product of glycerol. Hydroxyacetone is a platform for the electrocatalytic synthesis of acetone, 1,2-propanediol and 2-propanol. Hydroxyacetone can also be used as a glycerol substitute for electrocatalytic hydrogenation and hydrodeoxygenation processes[1].
CAS Number
116-09-6
UNSPSC
12352211
Hazard Statement
H226
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hydroxyacetone.html
Concentration
10mM
Purity
98.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(CO)=O
Molecular Formula
C3H6O2
Molecular Weight
74.08
Precautions
H226
References & Citations
[1]Sauter, W., et al., (2017) . Hydroxyacetone: A Glycerol-Based Platform for Electrocatalytic Hydrogenation and Hydrodeoxygenation Processes. ChemSusChem, 10 (15), 3105–3110.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Hydroxyacetone

Hydroxyacetone is a propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a primary alcohol, a member of propanones and a methyl ketone. It is functionally related to an acetone.

CAS Number116-09-6
PubChem CID8299
IUPAC Name1-hydroxypropan-2-one
Molecular FormulaC3H6O2
Molecular Weight74.08
XLogP-0.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity40
SMILES
CC(=O)CO
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKey
XLSMFKSTNGKWQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyacetone
CAS: 116-09-6
CID: 8299
Formula: C3H6O2
MW: 74.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight74.08
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass74.036779430
Monoisotopic Mass74.036779430
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity40.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes