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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

Catalog Number PKG Qty. Price Quantity
45-252581-10G 10 g
$112.00
1/EA
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assay 98%
bp 217-218 °C (lit.)
density 1.032 g/mL at 25 °C (lit.)
InChI 1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI key ZMRFRBHYXOQLDK-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.560 (lit.)
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 n20/D 1.560 (lit.)
UNSPSC 12352100

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