Pentyl isovalerate

Catalog	ACM25415627-1
CAS	25415-62-7
Structure
Synonyms	Amyl isovalerate
IUPAC Name	Pentyl 3-methylbutanoate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CCCCCOC(=O)CC(C)C
InChI	InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChI Key	QURFFFCYNQXLCU-UHFFFAOYSA-N
Boiling Point	195.7±8.0 °C
Melting Point	190-195 °C
Flash Point	69 °C
Purity	98%+
Density	0.858 g/mL at 20 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.414(lit.)
Topological Polar Surface Area	26.3 Ų