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14309-57-0

14309-57-0 structural image
Product Name: 3-Nonen-2-one
Formula: C9H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; fruity-berry
Solubility insoluble in water; soluble in fats
Density 0.843-0.846
Refractive Index 1.443-1.452
Kovats Retention Index 1114 1116 1114 1114 1119 1114

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H227:Flammable liquids
H319:Serious eye damage/eye irritation
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.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 140.22 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 140.120115130 g/mol
Monoisotopic Mass 140.120115130 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 114
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(3E)-3-nonen-2-one is an enone that is (E)-3-nonene in which the two methylene hydrogens at position 2 have been replaced by an oxo group. It has a role as an EC 2.5.1.18 (glutathione transferase) inhibitor and a fumigant.

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