2-Phenylethanethiol
Synonym(s):2-Phenylethanethiol;2-Phenylethyl mercaptan;Phenethyl mercaptan
- CAS NO.：4410-99-5
- Empirical Formula: C8H10S
- Molecular Weight: 138.23
- MDL number: MFCD00004891
- EINECS: 224-563-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:27:13
What is 2-Phenylethanethiol?
Chemical properties
colourless liquid
The Uses of 2-Phenylethanethiol
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.
Properties of 2-Phenylethanethiol
| Melting point: | -30°C (estimate) |
| Boiling point: | 217-218 °C (lit.) |
| Density | 1.032 g/mL at 25 °C (lit.) |
| refractive index | n |
| 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 |
| JECFA Number | 527 |
| BRN | 1446618 |
| Stability: | Stable. Incompatible with strong bases, strong oxidizing agents. |
| CAS DataBase Reference | 4410-99-5(CAS DataBase Reference) |
Safety information for 2-Phenylethanethiol
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 2-Phenylethanethiol
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