2,8-Epithio-p-menthane

Catalog	ACM68398185
CAS	68398-18-5
Synonyms	Zestoril
IUPAC Name	4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
Molecular Weight	170.32
Molecular Formula	C10H18S
Canonical SMILES	CC1CCC2CC1SC2(C)C
InChI	InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
InChI Key	FAXNZPOZWCWYBD-UHFFFAOYSA-N
Boiling Point	222.7±9.0 °C
Flash Point	79ºC
Purity	95%+
Density	0.941±0.06 g/cm³
Solubility	Insoluble in water
Exact Mass	170.11292175
Monoisotopic Mass	170.11292175
Odor	Earthy, citrus aroma
Physical State	Liquid
Refractive Index	n20/D1.513-1.521(lit.)
Topological Polar Surface Area	25.3 Ų