(Z)-2-Methyl-4-propyl-1,3-oxathiane

Catalog	ACM59323761
CAS	59323-76-1
Structure
Synonyms	Cis-galbanum oxathiane
IUPAC Name	(2R,4S)-2-Methyl-4-propyl-1,3-oxathiane
Molecular Weight	160.28
Molecular Formula	C8H16OS
Canonical SMILES	CCCC1CCOC(S1)C
InChI	InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChI Key	GKGOLPMYJJXRGD-SFYZADRCSA-N
Boiling Point	226.5±33.0 °C
Flash Point	74 °C
Purity	95%+
Density	0.937±0.06 g/cm³
Solubility	water, 672.1 mg/L @ 25 °C (est)
Appearance	Colorless to pale yellow clear liquid (est)
Exact Mass	160.0921863
Isomeric SMILES	CCC[C@H]1CCO[C@H](S1)C
Monoisotopic Mass	160.0921863
Physical State	Liquid
Refractive Index	n20/D 1.459-1.463(lit.)
Topological Polar Surface Area	34.5 Ų