| Identification | More | [Name]
1-Hexanethiol | [CAS]
111-31-9 | [Synonyms]
1-HEXANETHIOL
1-HEXYLMERCAPTAN
1-MERCAPTOHEXANE
FEMA 3842
HEXYL MERCAPTAN
MERCAPTAN C6
N-HEXYL MERCAPTAN
1-hexylthiol
Hexan-1-thiol
hexane-1-thiol
Hexanethiol
hexanethiol(non-specificname)
hexanethiolnormal
hexylmercaptan(non-specificname)
hexylmercaptannormal
hexylthiol
n-Hexanethiol
n-Hexylthiol
n-thioheptylalcohol
USAF EK-4628 | [EINECS(EC#)]
203-857-0 | [Molecular Formula]
C6H14S | [MDL Number]
MFCD00004909 | [Molecular Weight]
118.24 | [MOL File]
111-31-9.mol |
| Chemical Properties | Back Directory | [Appearance]
clear coloreless liquid | [Melting point ]
-81--80 °C (lit.) | [Boiling point ]
150-154 °C (lit.) | [density ]
0.84 | [FEMA ]
3842 | [refractive index ]
n20/D 1.4482(lit.)
| [Fp ]
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 | [Odor Type]
burnt | [Water Solubility ]
insoluble | [Sensitive ]
Air Sensitive | [Detection Methods]
GC | [JECFA Number]
518 | [BRN ]
1731295 | [Dielectric constant]
4.4400000000000004 | [Exposure limits]
NIOSH: Ceiling 0.5 ppm(2.7 mg/m3) | [LogP]
3.37 | [Uses]
Intermediate, synthetic rubber processing.
See thiol. | [CAS DataBase Reference]
111-31-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Hexanethiol(111-31-9) | [Storage Precautions]
Air sensitive;Store under nitrogen | [EPA Substance Registry System]
1-Hexanethiol (111-31-9) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R10:Flammable.
R20/22:Harmful by inhalation and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1228 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
MO4550000
| [F ]
13 | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29309090 |
| Hazard Information | Back Directory | [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]
n-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. | [Chemical Properties]
1-Hexanethiol has a burnt fat, sulfurous, meaty, fatty odor.
| [Chemical Properties]
clear coloreless liquid | [Occurrence]
Reported found in cooked chicken, beef and pork | [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 |
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