Isoamyl caproate

Catalog	ACM2198610
CAS	2198-61-0
Structure
Synonyms	Isopentyl hexanoate
IUPAC Name	3-Methylbutyl hexanoate
Molecular Weight	186.29
Molecular Formula	C11H22O2
Canonical SMILES	CCCCCC(=O)OCCC(C)C
InChI	InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChI Key	XVSZRAWFCDHCBP-UHFFFAOYSA-N
Boiling Point	222 °C
Melting Point	-47 °C
Flash Point	185 °F
Purity	98%+
Density	0.86 g/mL at 25 °C(lit.)
Solubility	Soluble in ethanol and fixed oils, insoluble in glycerol, propylene glycol and water
Exact Mass	186.16197994
Monoisotopic Mass	186.16197994
Physical State	Liquid
Refractive Index	n20/D 1.42(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų