3-Mercapto-1-hexanol

3-Mercapto-1-hexanol Basic information
Product Name:3-Mercapto-1-hexanol
Synonyms:3-THIOHEXAN-1-OL;3-THIOHEXANOL;3-MERCAPTO-1-HEXANOL;3-MERCAPTOHEXAN-1-OL;FEMA 3850;1-Hexanol, 3-mercapto-;1-Hexanol,3-mercapto-(9CI);3-Mercaptohexanol
CAS:51755-83-0
MF:C6H14OS
MW:134.24
EINECS:000-000-0
Product Categories:thiol Flavor
Mol File:51755-83-0.mol
3-Mercapto-1-hexanol Structure
3-Mercapto-1-hexanol Chemical Properties
Boiling point 250 °C
density 0.97
FEMA 3850 | 3-MERCAPTOHEXANOL
refractive index 1.479-1.481
Fp 100°C
storage temp. Sealed in dry,Room Temperature
solubility Chloroform, DMSO, Methanol, Water
pka10.49±0.10(Predicted)
form Liquid
color Clear colorless
Odorat 0.10 % in dipropylene glycol. sulfurous fruity tropical
Odor Typesulfurous
Water Solubility Insoluble
JECFA Number545
BRN 1846873
LogP1.64
CAS DataBase Reference51755-83-0(CAS DataBase Reference)
NIST Chemistry Reference3-Mercaptohexanol(51755-83-0)
EPA Substance Registry System1-Hexanol, 3-mercapto- (51755-83-0)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-22
Safety Statements 37/39-26-39-37-24/25
TSCA Yes
HS Code 29420000
MSDS Information
ProviderLanguage
3-Mercapto-1-hexanol English
ACROS English
ALFA English
3-Mercapto-1-hexanol Usage And Synthesis
Chemical Propertiesclear colorless liquid
Uses3-Mercaptohexanol is an thiol compound found in various grape juices and wines.
Uses3-mercapto-1-hexanol (3MH) are compounds potentially responsible for the development of blackcurrant aroma in red wine. 3-mercapto-1-hexanol was the most important odorant of Grenache rosé wine was with a deep impact on the wine fruity and citric notes. 3-Mercaptohexanol is an thiol compound found in various grape juices.
DefinitionChEBI: An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.
Aroma threshold valuesAroma characteristics at 0.1%: sulfurous, initially fruity then becoming savory and chicken meaty with a slight roasted coffee nuance and a hint of fruitiness on dry out.
Taste threshold valuesTaste characteristics at 0.050 to 10 ppm: sulfurous, guava tropical fruity, with a hint of brothy savory and egg.
Synthesis Reference(s)Tetrahedron Letters, 25, p. 507, 1984 DOI: 10.1016/S0040-4039(00)99923-4
3-Mercapto-1-hexanol Preparation Products And Raw materials
3-mercaptohexyl-acetate,3-mercapto-1-hexanol-1-acetate,3-mercapto-1-hexanol acetate Labriformin (4R,6S)-6-CHLOROMETHYL-4-ACETYLSULFANYL-TETRAHYDROPYRAN-2-ONE 3-(Methylthio)-1-hexanol BETA-(S-BENZYL)MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE PROPIONIC ACID 3-Mercapto-1-hexanol 4-HYDROXY NONENAL MERCAPTURIC ACID 3'-HYDROXYCARBONYLMETHYL LEWIS X-1-NHBZ, THIO ANALOG THIOCELLOBIOSE tetronothiodin 2-Methyl-4-propyl-1,3-oxathiane METHYL 5-ACETAMIDO-4,7,8,9-TETRA-O-BENZYL-2-CHLORO-2,3,5-TRIDEOXY-3-PHENYLTHIO-D-ERYTHO-BETA-L-GLUCO-2-NONULOPYRANOSONATE 1-Thio-4-chromanone-2-acetic acid WS 009B 3-(ACETYLTHIO)HEXYL ACETATE 3-(Methylthio)hexyl acetate BETA-(4-METHOXY-BENZYLSULFANYL)-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONIC ACID CBI-BB ZERO/001487

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