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2311-46-8

2311-46-8 structural image
Product Name: N-CAPROIC ACID ISOPROPYL ESTER
Formula: C9H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid
Boiling Point 172.00 to 173.00 °C. @ 760.00 mm Hg
Solubility almost insoluble in water; soluble in alcohol
Density 0.854-0.860 (20°)
Refractive Index 1.405
Kovats Retention Index 1018 1026 1022 1039 1008 1008 1020 1018 1008 1021 1021

SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS02
Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 158.24 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 158.130679813 g/mol
Monoisotopic Mass 158.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 108
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

Isopropyl hexanoate is a fatty acid ester.