Isoamyl valerate

Catalog	ACM2050091
CAS	2050-09-1
Structure
Synonyms	Pentanoic acid, 3-methylbutyl ester
IUPAC Name	3-Methylbutyl pentanoate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CCCCC(=O)OCCC(C)C
InChI	InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
InChI Key	UBLAMKHIFZBBSS-UHFFFAOYSA-N
Boiling Point	196 °C
Melting Point	-68.47 °C
Flash Point	71.4 °C
Purity	98%+
Density	0.862 g/mL at 20 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.416(lit.)
Storage Conditions	Dry place
Topological Polar Surface Area	26.3 Ų