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.)
FLAVIS Number 12.194 | 2-Phenylethane-1-thiol
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)
Substances Added to Food (formerly EAFUS) PHENYLETHYL MERCAPTAN
FDA UNII I4TH2T2INY
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332-H315-H319-H335
Precautionary statements P280-P301+P312-P362+P364
Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  23-24/25-36/37
RIDADR  UN 3334
WGK Germany  3
F  13
HS Code  29309090
Storage Class 10 - Combustible liquids
NFPA 704:
2
2 0

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2-Phenylethanethiol Chemical Properties,Usage,Production

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