3-Mercaptohexyl hexanoate

Catalog	ACM136954228
CAS	136954-22-8
Structure
Synonyms	Hexanoic acid, 3-mercaptohexyl ester
IUPAC Name	3-Sulfanylhexyl hexanoate
Molecular Weight	232.38
Molecular Formula	C12H24O2S
Canonical SMILES	CCCCCC(=O)OCCC(CCC)S
InChI	InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChI Key	KVXKOWZLYWBURN-UHFFFAOYSA-N
Boiling Point	307.6±25.0 °C
Purity	95%+
Density	0.950±0.06 g/cm³
Solubility	Insoluble in water; soluble in 50% heptane and ethanol, 10% triacetin
Exact Mass	232.14970118
Monoisotopic Mass	232.14970118
Physical State	Liquid
Refractive Index	n20/D 1.4595-1.4695(lit.)
Topological Polar Surface Area	27.3 Ų