1-Hexanethiol

1-Hexanethiol Basic information
Product Name:1-Hexanethiol
Synonyms:hexanethiolnormal;hexylmercaptan(non-specificname);hexylmercaptannormal;n-Hexylthiol;n-thioheptylalcohol;USAF EK-4628;usafek-4628;1-MERCAPTOHEXANE
CAS:111-31-9
MF:C6H14S
MW:118.24
EINECS:203-857-0
Product Categories:Halogenated Heterocycles ,Pyrimidines;thiol Flavor
Mol File:111-31-9.mol
1-Hexanethiol Structure
1-Hexanethiol Chemical Properties
Melting point -81--80 °C (lit.)
Boiling point 150-154 °C (lit.)
density 0.832 g/mL at 25 °C
FEMA 3842 | 1-HEXANETHIOL
refractive index n20/D 1.4482(lit.)
Fp 69 °F
storage temp. Flammables area
form Liquid
pka10.55±0.10(Predicted)
Specific Gravity0.842 (20/4℃)
color Clear colorless to yellow
Odorat 0.10 % in propylene glycol. burnt fat sulfury meaty fatty garlic roasted burnt
Odor Typeburnt
Odor Threshold0.000015ppm
Water Solubility insoluble
Sensitive Air Sensitive
JECFA Number518
BRN 1731295
Exposure limitsNIOSH: Ceiling 0.5 ppm(2.7 mg/m3)
LogP3.37
CAS DataBase Reference111-31-9(CAS DataBase Reference)
NIST Chemistry Reference1-Hexanethiol(111-31-9)
EPA Substance Registry System1-Hexanethiol (111-31-9)
Safety Information
Hazard Codes Xn
Risk Statements 10-20/22
Safety Statements 23-24/25-16
RIDADR UN 1228 3/PG 2
WGK Germany 3
RTECS MO4550000
13
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29309090
MSDS Information
ProviderLanguage
1-Hexanethiol English
SigmaAldrich English
ACROS English
ALFA English
1-Hexanethiol Usage And Synthesis
Chemical Propertiesclear coloreless liquid
Chemical Properties1-Hexanethiol has a burnt fat, sulfurous, meaty, fatty odor.
OccurrenceReported found in cooked chicken, beef and pork
UsesIntermediate, synthetic rubber processing. See thiol.
Uses1-Hexanethiol can be mixed with 4-mercaptophenol to functionalize gold nanoparticles (AuNPs) for use as chemi-resistive sensors. It can also form a protective coating against oxidative reactions and contaminating layers on copper surfaces. It can also be used as a thiol based ligand which finds potential application as a semiconducting material in thin film solar cells.
It is used to tune the electrical characteristics in networked carbon nanotube field-effect transistors. It is also used as a monolayer on copper surfaces to retard surface oxidation during exposure to the environment which can then be desorbed effectively with an annealing step in inert N2 to provide a clean Cu surface.
DefinitionChEBI: 1-Hexanethiol is an alkanethiol.
Aroma threshold valuesAroma characteristics at 0.01%: burnt fat, slight garlic, grilled meat, sulfurous, burnt and roasted, meaty fatty, unpleasant burnt match
Taste threshold valuesTaste characteristics at 0.05 to 1.0 ppm: charred pork skin, slightly bitter, lactonic fatty nuances, sulfurous, roasted, burnt fat and coffee nuances
General DescriptionColorless liquid with an unpleasant odor. Mp: -81°C; bp: 152-153°C. Density 0.838 g cm-3 (at 25°C).
Reactivity Profile1-Hexanethiol is incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite(Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
HazardCombustible.
1-Hexanethiol Preparation Products And Raw materials
Raw materialsSodium hydroxide-->Diethyl ether-->Hydrogen bromide-->Thiourea-->1-Hexanol
Preparation Products2-hexanethiol-->1-HEXANESULFONYL CHLORIDE-->4-(Hexylthio)-benzaldehyde-->Hexylb-D-thioglucopyranoside
CYCLOHEXENE SULFIDE PYRITHIOXIN DIHYDROCHLORIDE D-BIOTIN P-NITROPHENYL ESTER 5-THIO-D-GLUCOSE 6-(Ferrocenyl)hexanethiol,056-(FERROCENYL)HEXANETHIOL D-biotin-d-sulfoxide 1-methoxy-3-Hexanethiol,3-Hexanethiol,1-methoxy-(9CI) 2-N-propylamine-cyclo-hexanethiol 1-Hexanethiol, 2-ethyl-,2-Ethyl-1-hexanethiol, 2-Ethylhexylmercaptan,2-ETHYL-1-HEXANETHIOL tert-Hexyl mercaptan 3-HEXANETHIOL,3-HEXANETHIOL 97% PYRITHIOXIN tert-hexanethiol 2-Methyl-2-hexanethiol 3-Methyl-3-hexanethiol 2-hexanethiol 6-AMINO-1-HEXANETHIOL-4-METHOXYTRITYL RESIN (200-400 MESH, >0.4 MMOL/G) Hexyl isocyanate

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