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HomeProduct name list1-Hexanethiol

1-Hexanethiol

Synonym(s):1-Mercaptohexane;Hexyl mercaptan;MCH;Mercaptan C6

  • CAS NO.:111-31-9
  • Empirical Formula: C6H14S
  • Molecular Weight: 118.24
  • MDL number: MFCD00004909
  • EINECS: 203-857-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-28 16:31:44
1-Hexanethiol Structural

What is 1-Hexanethiol?

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

The Uses of 1-Hexanethiol

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.

The Uses of 1-Hexanethiol

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.

Properties of 1-Hexanethiol

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
form  Liquid
pka 10.55±0.10(Predicted)
color  Clear colorless to yellow
Specific Gravity 0.842 (20/4℃)
Odor at 0.10 % in propylene glycol. burnt fat sulfury meaty fatty garlic roasted 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
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)

Safety information for 1-Hexanethiol

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H302:Acute toxicity,oral
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P370+P378:In case of fire: Use … for extinction.

Computed Descriptors for 1-Hexanethiol

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