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1071-73-4

1071-73-4 structural image
Product Name: 3-Acetyl-1-propanol
Formula: C5H10O2
Synonyms: 3-Acetyl-1-propanol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index 687
Chemical Classes Solvents -> Other Solvents

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 102.13 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 102.068079557 g/mol
Monoisotopic Mass 102.068079557 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 59.1
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

5-hydroxypentan-2-one is a methyl ketone that is pentan-2-one carrying a hydroxy group at position 5. It has a role as a bacterial metabolite. It is a primary alcohol, a methyl ketone and a pentanone.