Hydroxyacetone (Standard)

CAT: 0804-HY-Y1366R-01Size: 50 mgDry Ice: NoHazardous: No

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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

Target

Endogenous Metabolite

Related Pathways

Metabolic Enzyme/Protease

Field of Research

Others

Smiles

CC(CO)=O

Molecular Formula

C3H6O2

Molecular Weight

74.08

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

Scientific Category

Reference Standards

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 Number	116-09-6
PubChem CID	8299
IUPAC Name	1-hydroxypropan-2-one
Molecular Formula	C3H6O2
Molecular Weight	74.08
XLogP	-0.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	40

SMILES

CC(=O)CO

InChI

InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

InChIKey

XLSMFKSTNGKWQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116-09-6

CID: 8299

Formula: C3H6O2

MW: 74.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	74.08
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	74.036779430
Monoisotopic Mass	74.036779430
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	40.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
164450	Hydroxyacetone
452079-01	Hydroxyacetone-2,4-DNPH
TRC-C143030-100MG	1-Chloro-3-hydroxyacetone
452080-01	Hydroxyacetone-2,4-DNPH-d3
abx098967-01	Standard

Hydroxyacetone (Standard)

Chemical Information

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