Isoamyl isovalerate

Catalog	ACM659701
CAS	659-70-1
Structure
Synonyms	Isopentyl isopentanoate
IUPAC Name	3-Methylbutyl 3-methylbutanoate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CC(C)CCOC(=O)CC(C)C
InChI	InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
InChI Key	XINCECQTMHSORG-UHFFFAOYSA-N
Boiling Point	192-193 °C
Melting Point	-58.15 °C
Flash Point	152 °F
Purity	98%+
Density	0.854 g/mL at 25 °C(lit.)
Solubility	water, 44.59 mg/L @ 25 °C (est)
Appearance	Colorless to yellowish transparent liquid
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.412(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų