Nonyl isovalerate

Catalog	ACM7786472
CAS	7786-47-2
Structure
Synonyms	Isovaleric acid nonyl ester
IUPAC Name	Nonyl 3-methylbutanoate
Molecular Weight	228.37
Molecular Formula	C14H28O2
Canonical SMILES	CCCCCCCCCOC(=O)CC(C)C
InChI	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
InChI Key	JHKZVDVMXZGMOX-UHFFFAOYSA-N
Boiling Point	270.19 °C
Melting Point	-37.3 °C
Purity	95%+
Density	0.858 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol; insoluble in water
Exact Mass	228.208930132
Monoisotopic Mass	228.208930132
Physical State	Liquid
Refractive Index	n20/D 1.4036(lit.)
Topological Polar Surface Area	26.3 Ų