3-(Methylthio)hexyl acetate

CAS	51755-85-2
Structure
Synonyms	1-Hexanol, 3-(methylthio)-, 1-acetate
IUPAC Name	3-Methylsulfanylhexyl acetate
Molecular Weight	190.31
Canonical SMILES	CCCC(CCOC(=O)C)SC
InChI	InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3
InChI Key	VIQXICKUKPVFRK-UHFFFAOYSA-N
Boiling Point	216 °C
Flash Point	76 °C
Purity	95%+
Density	0.982 g/mL at 25 °C(lit.)
Solubility	Soluble in water and fat
Exact Mass	190.10275099
Monoisotopic Mass	190.10275099
Physical State	Liquid
Refractive Index	n20/D 1.464(lit.)
Topological Polar Surface Area	51.6 Ų