Hexanoic acid, 6-(acetyloxy)-, ethyl ester

CAS	104986-28-9
Structure
Synonyms	6-Acetoxyhexanoic acid ethyl ester
IUPAC Name	Ethyl 6-acetyloxyhexanoate
Molecular Weight	202.25
Canonical SMILES	CCOC(=O)CCCCCOC(=O)C
InChI	InChI=1S/C10H18O4/c1-3-13-10(12)7-5-4-6-8-14-9(2)11/h3-8H2,1-2H3
InChI Key	ODGMPRNNVXITJQ-UHFFFAOYSA-N
Boiling Point	252.0±23.0 °C
Flash Point	106 °C
Purity	95%+
Density	1.008±0.06 g/cm³
Exact Mass	202.12050905
Monoisotopic Mass	202.12050905
Odor	Gentle floral, fruity, and balsam aromas
Physical State	Liquid
Refractive Index	n20/D 1.426-1.430(lit.)
Topological Polar Surface Area	52.6 Ų