4-Ethylcaprylic acid

CAS	16493-80-4
Structure
IUPAC Name	4-Ethyloctanoic acid
Molecular Weight	172.26
Canonical SMILES	CCCCC(CC)CCC(=O)O
InChI	InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key	PWKJMPFEQOHBAC-UHFFFAOYSA-N
Boiling Point	163 °C
Flash Point	212 °F
Purity	98%+
Density	0.904 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water, soluble in hexane
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.439(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų