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97-87-0

97-87-0 structural image
Product Name: Butyl isobutyrate
Formula: C8H16O2
Synonyms: Butyl 2-methylpropanoate;Butyl isobutanoate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; [Sigma-Aldrich MSDS]
Boiling Point 156.00 to 158.00 °C. @ 760.00 mm Hg
Melting Point < 25 °C
Solubility miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water
Density 0.859-0.864
Refractive Index 1.401-1.404
Kovats Retention Index 952 935 936 943 944 937 931 931 931 936 933 952 933 934 931 939 939 945 944
Chemical Classes Solvents -> Esters (<C12)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 144.21 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 144.115029749 g/mol
Monoisotopic Mass 144.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 97.4
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

Butylisobutyrate is a carboxylic ester.

RELATED SUPPLIERS

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product:97-87-0 Butyl isobutyrate 98%
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