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39251-88-2

39251-88-2 structural image
Product Name: FEMA 3518
Formula: C13H20O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless to pale straw liquid; sweet fruity heavy odour
Boiling Point 126.00 to 127.00 °C. @ 1.00 mm Hg
Solubility insoluble in water; miscible in fat
Density 0.984-0.990
Refractive Index 1.466-1.472

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 224.30 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 9
Exact Mass 224.14124450 g/mol
Monoisotopic Mass 224.14124450 g/mol
Topological Polar Surface Area 39.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 192
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

Octyl 2-furoate is a carboxylic ester. It is functionally related to a 2-furoic acid.