3-Mercaptohexyl acetate

Chemical Properties

Boiling point	235.7±23.0 °C(Predicted)
Density	0.987±0.06 g/cm3(Predicted)
refractive index	1.4560 to 1.4600
FEMA	3851 \| 3-MERCAPTOHEXYL ACETATE
Flash point	73°
storage temp.	Hygroscopic, Refrigerator, under inert atmosphere
solubility	Chloroform (Sparingly),Methanol (Slightly)
form	Oil
pka	10.53±0.10(Predicted)
color	Colourless
Odor	at 0.10 % in dipropylene glycol. floral fruity pear tropical passion fruit blackberry raspberry black currant bud
Odor Type	fruity
biological source	synthetic
JECFA Number	554
Stability	Hygroscopic
Major Application	flavors and fragrances
InChI	1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
InChIKey	JUCARGIKESIVLB-UHFFFAOYSA-N
SMILES	CCCC(S)CCOC(C)=O
LogP	2.54
CAS DataBase Reference	136954-20-6(CAS DataBase Reference)
NIST Chemistry Reference	3-Mercaptohexyl acetate(136954-20-6)
EPA Substance Registry System	1-Hexanol, 3-mercapto-, 1-acetate (136954-20-6)