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3301-94-8

3301-94-8 structural image
Product Name: delta-Nonalactone
Formula: C9H16O2
Synonyms: 5-Hydroxynonanoic acid, lactone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid with a coconut-like odour
Solubility 1 ml in 1 ml 95% alcohol (in ethanol)
Density 0.994-0.999
Refractive Index 1.452-1.458
Kovats Retention Index 1356 1398.4

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H225:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 156.22 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 156.115029749 g/mol
Monoisotopic Mass 156.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 132
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

6-Butyltetrahydro-2H-pyran-2-one is a delta-lactone.