| Identification | More | [Name]
2-Phenylethanethiol | [CAS]
4410-99-5 | [Synonyms]
2-PHENYLETHANETHIOL
2-PHENYLETHYL MERCAPTAN
BENZENEETHANETHIOL
BETA-PHENETHYL MERCAPTAN
BETA-PHENYLETHYL MERCAPTAN
FEMA 3894
PHENETHYL MERCAPTAN
PHENYLETHYL MERCAPTAN
2-Phenylethylthiol
β-Phenyl ethyl mercaphtan
2-Phenylenthanethiol
PHENYLETHYL MERCAPTAN 99+%
2-Phenylethylmercaptane
Femano.3894
phenylethylthiol,2-phenylethylthiol,2-phenylethanthiol
2-Phenylethanthiol
2-PHENYLETHYL MERCAPTAN FEMA NO.3894
2-Phenylethyl mercaptan, Phenethyl mercaptan
2-Phenylethanethiol, 2-Phenylethyl mercaptan, Phenethyl mercaptan
2-Phenylethane-1-thiol | [EINECS(EC#)]
224-563-9 | [Molecular Formula]
C8H10S | [MDL Number]
MFCD00004891 | [Molecular Weight]
138.23 | [MOL File]
4410-99-5.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-30°C (estimate) | [Boiling point ]
217-218 °C (lit.) | [density ]
1.032 g/mL at 25 °C(lit.)
| [FEMA ]
3894 | [refractive index ]
n20/D 1.560(lit.)
| [Fp ]
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 | [Stability:]
Stable. Incompatible with strong bases, strong oxidizing agents. | [Odor Type]
rubbery | [JECFA Number]
527 | [BRN ]
1446618 | [LogP]
2.90 | [CAS DataBase Reference]
4410-99-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 3334 | [WGK Germany ]
3
| [F ]
13 | [HS Code ]
29309090 |
| Hazard Information | Back Directory | [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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