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4230-97-1

4230-97-1 structural image
Product Name: ALLYL CAPRYLATE
Formula: C11H20O2
Synonyms: Allyl caprylate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless to pale yellow oily liquid with a fruity odour and winey undertone
Boiling Point 87.00 to 88.00 °C. @ 5.50 mm Hg
Solubility Insoluble in glycerol & water, slightly soluble in propylene glycol, and soluble in ethanol and fixed oils
Density 0.872-0.880
Refractive Index 1.432-1.434
Kovats Retention Index 1261 1262 1265 1257

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.
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 184.27 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 9
Exact Mass 184.146329876 g/mol
Monoisotopic Mass 184.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 141
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

2-Propenyl octanoate is a fatty acid ester.