2-Methylpropionic acid heptyl ester

CAS	2349-13-5
Structure
Synonyms	Propanoic acid, 2-methyl-, heptyl ester
IUPAC Name	Heptyl 2-methylpropanoate
Molecular Weight	186.29
Canonical SMILES	CCCCCCCOC(=O)C(C)C
InChI	InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3
InChI Key	RFDUMBPGZUIKOG-UHFFFAOYSA-N
Boiling Point	212 °C
Melting Point	-57.5 °C
Flash Point	183 °F
Purity	95%+
Density	0.863 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents
Exact Mass	186.16197994
Monoisotopic Mass	186.16197994
Odor	Herbaceous, woody odor
Physical State	Liquid
Refractive Index	n20/D 1.418(lit.)
Topological Polar Surface Area	26.3 Ų