75018

1-Hexanthiol

analytical standard

• Synonym(e): Hexylmercaptan, Mercaptan C₆
• Lineare Formel: CH₃(CH₂)₅SH
• CAS-Nummer: 111-31-9
• Molekulargewicht: 118.24
• Beilstein: 1731295
• EG-Nummer: 203-857-0
• MDL-Nummer: MFCD00004909
• UNSPSC-Code: 85151701
• PubChem Substanz-ID: 329766055
• NACRES: NA.24

Eigenschaften

• Qualität: analytical standard
• Qualitätsniveau: 100
• Assay: ≥98.0% (GC)
• Haltbarkeit: limited shelf life, expiry date on the label
• Brechungsindex: n20/D 1.448-1.452; n20/D 1.450
• bp: 150-154 °C (lit.)
• mp (Schmelzpunkt): −81-−80 °C (lit.)
• Dichte: 0.832 g/mL at 25 °C
• Anwendung(en): 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
• InChIKey: PMBXCGGQNSVESQ-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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.

Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Warning
• H-Sätze: H226,H302
• P-Sätze: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Gefahreneinstufungen: Acute Tox. 4 Oral - Flam. Liq. 3
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 3
• Flammpunkt (°F): 86.0 °F - closed cup
• Flammpunkt (°C): 30 °C - closed cup