75018

1-Hexanethiol

analytical standard

• Synonym(s): 1-Mercaptohexane, Hexyl mercaptan, MCH, Mercaptan C₆
• Linear Formula: CH₃(CH₂)₅SH
• CAS Number: 111-31-9
• Molecular Weight: 118.24
• Beilstein/REAXYS Number: 1731295
• EC Number: 203-857-0
• MDL number: MFCD00004909
• UNSPSC Code: 85151701
• PubChem Substance ID: 329766055
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• 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
• application(s): 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

Description

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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302
• pcodes: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 86.0 °F - closed cup
• flash_point_c: 30 °C - closed cup