Hexanoic acid, 2-ethyl-, ethyl ester

CAS	2983-37-1
Structure
Synonyms	2-Ethylhexanoic acid ethyl ester
IUPAC Name	Ethyl 2-ethylhexanoate
Molecular Weight	172.26
Canonical SMILES	CCCCC(CC)C(=O)OCC
InChI	InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
InChI Key	YXAGIRHBJJLWHW-UHFFFAOYSA-N
Boiling Point	196 °C
Melting Point	-63.5 °C
Flash Point	71 °C
Purity	95%+
Density	0.872 g/mL at 20 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Oil
Refractive Index	n20/D 1.4123(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų