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589-59-3

589-59-3 structural image
Product Name: Isobutyl isovalerate
Formula: C9H18O2
Synonyms: 2-Methylpropyl 3-methylbutyrate;Isobutyl 3-methyl butyrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid
Boiling Point 168.50 °C. @ 760.00 mm Hg
Solubility miscible with alcohol
Density 0.850-0.854
Refractive Index 1.404-1.408
Kovats Retention Index 989 990 985 985 989 994 989 993 985 990 992 989 985 988 989 991 991

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
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 117
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-Methylpropyl 3-methylbutanoate is a fatty acid ester.