75018

Supelco

1-Hexanethiol

analytical standard

Synonym(s):
Mercaptan C6, MCH, Hexyl mercaptan, 1-Mercaptohexane
Linear Formula:
CH3(CH2)5SH
CAS Number:
Molecular Weight:
118.24
Beilstein/REAXYS Number:
1731295
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

Quality Level

grade

analytical standard

assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

refractive index

n20/D 1.448-1.452
n20/D 1.450

bp

150-154 °C (lit.)

mp

−81-−80 °C (lit.)

density

0.832 g/mL at 25 °C

Featured Industry

Cleaning Products
Cosmetics
Flavors and Fragrances
Food and Beverages
Personal Care

format

neat

SMILES string

CCCCCCS

InChI

1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChI key

PMBXCGGQNSVESQ-UHFFFAOYSA-N

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General description

1-Hexanethiol is an organic sulfur compound that belongs to the class of mercaptans. Mercaptans have a characteristic odor and are regarded as the major contributors to several foods and beverage aromas.

Application

1-Hexanethiol may be used as a surrogate standard for the determination of wine polyfunctional mercaptans by gas chromatography−negative ion mass spectrometry analysis of their pentafluorobenzyl derivatives. It may also be used as an analytical standard for the determination of the analyte in alcoholic beverages by simultaneous derivatization/extraction and liquid chromatography-high resolution mass spectrometry.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

hazcat

Acute Tox. 4 Oral - Flam. Liq. 3

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 3

Flash Point(F)

86.0 °F - closed cup

Flash Point(C)

30 °C - closed cup

Certificate of Analysis

Certificate of Origin

Analysis of volatile thiols in alcoholic beverages by simultaneous derivatization/extraction and liquid chromatography-high resolution mass spectrometry
Vichi S, et al.
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