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1-Hexanethiol

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1-Hexanethiol Basic information

Product Name:
1-Hexanethiol
Synonyms:
  • hexanethiolnormal
  • hexylmercaptan(non-specificname)
  • hexylmercaptannormal
  • hexylthiol
  • n-Hexanethiol
  • n-Hexylthiol
  • n-thioheptylalcohol
  • USAF EK-4628
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
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1-Hexanethiol Chemical Properties

Melting point:
-81--80 °C (lit.)
Boiling point:
150-154 °C (lit.)
Density 
0.832 g/mL at 25 °C
refractive index 
n20/D 1.4482(lit.)
FEMA 
3842 | 1-HEXANETHIOL
Flash point:
69 °F
storage temp. 
Flammables area
pka
10.55±0.10(Predicted)
form 
Liquid
Specific Gravity
0.842 (20/4℃)
color 
Clear colorless to yellow
Odor
at 0.10 % in propylene glycol. burnt fat sulfury meaty fatty garlic roasted burnt
Odor Type
burnt
Odor Threshold
0.000015ppm
Water Solubility 
insoluble
Sensitive 
Air Sensitive
JECFA Number
518
BRN 
1731295
Exposure limits
NIOSH: Ceiling 0.5 ppm(2.7 mg/m3)
Dielectric constant
4.4400000000000004
LogP
3.37
CAS DataBase Reference
111-31-9(CAS DataBase Reference)
NIST Chemistry Reference
1-Hexanethiol(111-31-9)
EPA Substance Registry System
1-Hexanethiol (111-31-9)
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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

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1-Hexanethiol Usage And Synthesis

Chemical Properties

clear coloreless liquid

Chemical Properties

1-Hexanethiol has a burnt fat, sulfurous, meaty, fatty odor.

Occurrence

Reported found in cooked chicken, beef and pork

Uses

1-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.

Uses

Intermediate, synthetic rubber processing. See thiol.

Definition

ChEBI: 1-Hexanethiol is an alkanethiol.

Aroma threshold values

Aroma characteristics at 0.01%: burnt fat, slight garlic, grilled meat, sulfurous, burnt and roasted, meaty fatty, unpleasant burnt match

Taste threshold values

Taste characteristics at 0.05 to 1.0 ppm: charred pork skin, slightly bitter, lactonic fatty nuances, sulfurous, roasted, burnt fat and coffee nuances

General Description

Colorless liquid with an unpleasant odor. Mp: -81°C; bp: 152-153°C. Density 0.838 g cm-3 (at 25°C).

Reactivity Profile

1-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.

Hazard

Combustible.

1-Hexanethiol Preparation Products And Raw materials

Raw materials

1-HexanethiolSupplier

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