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2-Phenylethanethiol

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2-Phenylethanethiol Basic information

Product Name:
2-Phenylethanethiol
Synonyms:
  • 2-Phenylethylthiol
  • PHENYLETHYL MERCAPTAN
  • PHENETHYL MERCAPTAN
  • 2-PHENYLETHYL MERCAPTAN
  • 2-PHENYLETHANETHIOL
  • β-Phenyl ethyl mercaphtan
  • 2-Phenylethyl mercaptan, Phenethyl mercaptan
  • 2-Phenylethanethiol, 2-Phenylethyl mercaptan, Phenethyl mercaptan
CAS:
4410-99-5
MF:
C8H10S
MW:
138.23
EINECS:
224-563-9
Product Categories:
  • thiol Flavor
Mol File:
4410-99-5.mol
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2-Phenylethanethiol Chemical Properties

Melting point:
-30°C (estimate)
Boiling point:
217-218 °C (lit.)
Density 
1.032 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.560(lit.)
FEMA 
3894 | PHENYLETHYL MERCAPTAN
Flash point:
195 °F
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
form 
Liquid
pka
10.40±0.10(Predicted)
color 
Clear colorless
Odor
at 0.10 % in propylene glycol. rubber sulfurous
Odor Type
rubbery
JECFA Number
527
BRN 
1446618
Stability:
Stable. Incompatible with strong bases, strong oxidizing agents.
LogP
2.90
CAS DataBase Reference
4410-99-5(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
20/21/22
Safety Statements 
23-24/25-36/37
RIDADR 
UN 3334
WGK Germany 
3
13
HS Code 
29309090

MSDS

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2-Phenylethanethiol Usage And Synthesis

Chemical Properties

colourless liquid

Uses

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

Synthesis Reference(s)

The Journal of Organic Chemistry, 25, p. 1993, 1960 DOI: 10.1021/jo01081a044

General Description

Structures of 2-phenylethanethiol and its 1:1 water clusters have been studied using resonant two-photon ionization spectroscopy.

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