4-Mercapto-4-methyl-2-pentanol

Catalog	ACM31539841
CAS	31539-84-1
Structure
Synonyms	2-Pentanol, 4-mercapto-4-methyl
IUPAC Name	4-Methyl-4-sulfanylpentan-2-ol
Molecular Weight	134.24
Molecular Formula	C6H14OS
Canonical SMILES	CC(CC(C)(C)S)O
InChI	InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChI Key	FDBQLLMYSACLPB-UHFFFAOYSA-N
Boiling Point	40 °C
Flash Point	158 °F
Purity	95%+
Density	0.957 g/mL at 25 °C(lit.)
Solubility	Soluble in water
Exact Mass	134.07653624
Monoisotopic Mass	134.07653624
Odor	Floral, fruity aroma
Physical State	Liquid
Refractive Index	n20/D 1.471(lit.)
Topological Polar Surface Area	21.2 Ų