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Structure

Butyl isobutyrate

CAS
97-87-0
Catalog Number
ACM97870
Category
Other Products
Molecular Weight
144.21
Molecular Formula
C8H16O2

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Specification

Synonyms
Propanoic acid, 2-methyl-, butyl ester
IUPAC Name
Butyl 2-methylpropanoate
Canonical SMILES
CCCCOC(=O)C(C)C
InChI
InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
InChI Key
JSLCOZYBKYHZNL-UHFFFAOYSA-N
Boiling Point
155-156 °C
Melting Point
-88.07 °C
Flash Point
110 °F
Density
0.862 g/mL at 25 °C(lit.)
Solubility
Miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water
Appearance
Colorless liquid/fresh fruity,apple-pineapple odour
Assay
0.99
Exact Mass
144.115029749
Monoisotopic Mass
144.115029749
Packaging
25 kg/DRUMS
Physical State
Liquid
Refractive Index
n20/D 1.401(lit.)
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Topological Polar Surface Area
26.3 Ų
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