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252581

2-Phenylethanethiol

Name: 2-Phenylethanethiol
Brand: ALDRICH

98%

Synonym(s):

2-Phenylethyl mercaptan, Phenethyl mercaptan

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About This Item

Linear Formula:

C₆H₅CH₂CH₂SH

CAS Number:

4410-99-5

Molecular Weight:

138.23

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855222

EC Number:

224-563-9

Beilstein/REAXYS Number:

1446618

MDL number:

MFCD00004891

Assay:

98%

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Properties

Quality Segment

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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