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)

Safety Information

Hazard Codes 

Xn

Risk Statements 

10-20/22

Safety Statements 

23-24/25-16

RIDADR 

UN 1228 3/PG 2

OEL

Ceiling: 0.5 ppm (2.7 mg/m3) [15-minute]

WGK Germany 

3

RTECS 

MO4550000

F 

13

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29309090

MSDS

• Language:English Provider:1-Hexanethiol
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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(111-31-9)Related Product Information

• Sodium thiomethoxide
• PYRITHIOXIN
• METHYL MERCAPTAN
• PYRITHIOXIN DIHYDROCHLORIDE
• Ethanethiol
• HexanitrodiphenylaMine
• 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
• 1-Dodecanethiol
• Hexyl isocyanate
• 1,2-Ethanedithiol
• 5-THIO-D-GLUCOSE
• 1-Mercaptooctane
• Cyclohexyl mercaptan
• CYCLOHEXENE SULFIDE
• 1,6-hexanethio
• 1-Nonanethiol
• 1-Heptanethiol
• Octadecanethiol