252581

2-Phenylethanethiol

98%

• Synonym(s): 2-Phenylethyl mercaptan, Phenethyl mercaptan
• Linear Formula: C₆H₅CH₂CH₂SH
• CAS Number: 4410-99-5
• Molecular Weight: 138.23
• Beilstein: 1446618
• EC Number: 224-563-9
• MDL number: MFCD00004891
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855222
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• refractive index: n20/D 1.560 (lit.)
• bp: 217-218 °C (lit.)
• density: 1.032 g/mL at 25 °C (lit.)
• functional group: phenyl; thiol
• SMILES string: SCCc1ccccc1
• InChI: 1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
• InChI key: ZMRFRBHYXOQLDK-UHFFFAOYSA-N

Description

General description

2-Phenylethanethiol serves as a building block in organic synthesis to incorporate a thiol functional group into molecules. Structures of 2-phenylethanethiol and its 1:1 water clusters have been studied using resonant two-photon ionization spectroscopy.

Application

2-Phenylethanethiol has been used:

• in preparation of biicosahedral Au (25) clusters protected with various types of thiol ligands
• as derivatization reagent for phosphorylated sequences of peptides, for enhancing ionization efficiency in matrix-assisted laser desorption/ionization mass spectrometry

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 194.0 °F - closed cup
• Flash Point(C): 90 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves