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2396-84-1

2396-84-1 structural image
Product Name: ETHYL SORBATE
Formula: C8H12O2
Synonyms: Ethyl trans,trans-2,4-hexadienoate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; warm, fruity aroma
Solubility Slightly soluble in water; miscible in oils
Density 0.936-0.939
Refractive Index 1.491-1.498
Kovats Retention Index 1071 1075 1066 1075 1067 1075 1070 1072 1075

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 140.18 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 140.083729621 g/mol
Monoisotopic Mass 140.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 145
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ethyl sorbate is a fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol. It has a role as a metabolite. It is functionally related to a sorbic acid.