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2-Phenylethanethiol Structure

2-Phenylethanethiol

Chemical Properties

Melting point -30°C (estimate)
Boiling point 217-218 °C (lit.)
Density  1.032 g/mL at 25 °C (lit.)
FEMA  3894 | PHENYLETHYL MERCAPTAN
refractive index  n20/D 1.560(lit.)
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
biological source synthetic
JECFA Number 527
BRN  1446618
Stability Stable. Incompatible with strong bases, strong oxidizing agents.
Major Application flavors and fragrances
InChI 1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey ZMRFRBHYXOQLDK-UHFFFAOYSA-N
SMILES SCCc1ccccc1
LogP 2.90
CAS DataBase Reference 4410-99-5(CAS DataBase Reference)

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
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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