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123-29-5

123-29-5 structural image
Product Name: Ethyl nonanoate
Formula: C11H22O2
Synonyms: Ethyl nonanoate;Ethyl pelargonate;Nonanoic acid ethyl ester, Ethyl pelargonate, Pelargonic acid ethyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 119.00 °C. @ 23.00 mm Hg
Melting Point -44.5 °C
Solubility 0.0295 mg/mL at 25 °C
Density 0.863-0.867
Refractive Index 1.420-1.424
Kovats Retention Index 1288 1279 1281 1274 1277 1284 1284 1304 1277 1279 1280 1280 1282 1281 1279 1280 1275 1279 1282 1279 1279 1280 1279 1273.2

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 186.29 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 186.161979940 g/mol
Monoisotopic Mass 186.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 121
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

Ethyl nonanoate is a fatty acid ethyl ester of nonanoic acid. It has a role as a metabolite. It is functionally related to a nonanoic acid.