Butyl isobutyrate

Catalog	ACM97870
CAS	97-87-0
Structure
Synonyms	Propanoic acid, 2-methyl-, butyl ester
IUPAC Name	Butyl 2-methylpropanoate
Molecular Weight	144.21
Molecular Formula	C8H16O2
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
Purity	98%+
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
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Physical State	Liquid
Refractive Index	n20/D 1.401(lit.)
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