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111-61-5

111-61-5 structural image
Product Name: ETHYL STEARATE
Formula: C20H40O2
Synonyms: Ethyl octadecanoate;Ethyl stearate;Stearic acid ethyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 213.00 to 215.00 °C. @ 15.00 mm Hg
Melting Point 33.4 °C
Solubility Soluble in ethanol and oils, insoluble in water
Density 0.880-0.900
Refractive Index 1.420-1.440
Kovats Retention Index 2181 2202 2177 2175 2175 2179 2183 2171 2180 2178 2197 2184 2180 2181 2181 2174 2175 2180

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 312.5 g/mol
XLogP3 8.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 18
Exact Mass 312.302830514 g/mol
Monoisotopic Mass 312.302830514 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 226
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 octadecanoate is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. It has a role as a plant metabolite. It is a long-chain fatty acid ethyl ester and an octadecanoate ester.