Isoamyl Butyrate

Catalog	ACM106274-1
CAS	106-27-4
Structure
Synonyms	Butanoic acid, 3-methylbutyl ester
IUPAC Name	3-Methylbutyl butanoate
Molecular Weight	158.24
Molecular Formula	C9H18O2
Canonical SMILES	CCCC(=O)OCCC(C)C
InChI	InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChI Key	PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Boiling Point	184-185 °C
Melting Point	-73 °C
Flash Point	136 °F
Purity	98%+
Density	0.862 g/mL at 25 °C(lit.)
Appearance	Oil
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.411(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų