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116-09-6

116-09-6 structural image
Product Name: Hydroxyacetone
Formula: C3H6O2
Synonyms: 1-Hydroxy-2-propanone;Acetol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid with a peculiar odor; [Merck Index] Clear light yellow liquid; [Aldrich MSDS]
Boiling Point 145.00 to 146.00 °C. @ 760.00 mm Hg
Melting Point -17 °C
Solubility 1.00E+06 mg/L @ 20 °C (exp)
Density 1.079-1.085 (20°)
Vapor Pressure 2.95 [mmHg]
Refractive Index 1.419-1.430
Kovats Retention Index 681 625 652 652 655 632 631 668 668 620 625 640
Chemical Classes Other Classes -> Other Organic Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.

COMPUTED DESCRIPTORS

Molecular Weight 74.08 g/mol
XLogP3 -0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 74.036779430 g/mol
Monoisotopic Mass 74.036779430 g/mol
Topological Polar Surface Area 37.3 Ų
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

PRODUCT INTRODUCTION

description

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 human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of propanones, a methyl ketone, a primary alcohol and a primary alpha-hydroxy ketone. It is functionally related to an acetone.