2-Phenylethanethiol
ALDRICH/252581 - 98%
Synonym: 2-Phenylethyl mercaptan; Phenethyl mercaptan
CAS Number: 4410-99-5
Empirical Formula (Hill Notation): C8H10S
Molecular Weight: 138.23
EC Number: 224-563-9
MDL Number: MFCD00004891
Linear Formula: C6H5CH2CH2SH
Product Type: Chemical
| assay | 98% |
| bp | 217-218 °C (lit.) |
| density | 1.032 g/mL at 25 °C (lit.) |
| functional group | phenyl |
| thiol | |
| InChI | 1S/C8H10S/c9-7-6-8-4-2-1- |
| InChI key | ZMRFRBHYXOQLDK-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | SCCc1ccccc1 |
| 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 |
| 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. |
| Packaging: | 10 g in glass bottle |
| RIDADR | UN 3334 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 194.0 °F - closed cup |
| Flash Point(C) | 90 °C - closed cup |
| Purity | 98% |
| bp | 217-218 °C (lit.) |
| Density | 1.032 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |

