1-Hexanethiol
SIAL/75018 - analytical standard
Synonym: 1-Mercaptohexane; Hexyl mercaptan; MCH; Mercaptan C6
CAS Number: 111-31-9
Empirical Formula (Hill Notation): C6H14S
Molecular Weight: 118.24
EC Number: 203-857-0
MDL Number: MFCD00004909
Linear Formula: CH3(CH2)5SH
Product Type: Chemical
application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
assay | ≥98.0% (GC) |
bp | 150-154 °C (lit.) |
density | 0.832 g/mL at 25 °C |
format | neat |
grade | analytical standard |
InChI | 1S/C6H14S/c1-2-3-4-5-6-7/ |
InChI key | PMBXCGGQNSVESQ-UHFFFAOYSA |
mp | −81-−80 °C (lit.) |
Quality Level | 100 ![]() |
refractive index | n |
n |
|
shelf life | limited shelf life, expiry date on the label |
SMILES string | CCCCCCS |
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. |
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. |
Symbol | ![]() ![]() |
Signal word | Warning |
Hazard statements | H226 - H302 |
Precautionary statements | P210 - P301 + P312 + P330 - P370 + P378 |
Hazard Codes | Xn |
Risk Statements | 10-20/22 |
Safety Statements | 23-24/25 |
RIDADR | UN1228 - class 3 - PG 3 - Mercaptans, liquid, flammable, toxic, |
WGK Germany | WGK 3 |
Flash Point(F) | 86.0 °F - closed cup |
Flash Point(C) | 30 °C - closed cup |
Purity | ≥98.0% (GC) |
bp | 150-154 °C (lit.) |
mp | −81-−80 °C (lit.) |
Density | 0.832 g/mL at 25 °C |
Refractive Index | n |
UNSPSC | 85151701 |