4410-99-5

Name 2-Phenylethanethiol
CAS 4410-99-5
EINECS(EC#) 224-563-9
Molecular Formula C8H10S
MDL Number MFCD00004891
Molecular Weight 138.23
MOL File 4410-99-5.mol
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Chemical Properties

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.
biological source synthetic
Odor Type rubbery
JECFA Number 527
BRN  1446618
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)
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Safety Data

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
Storage Class 10 - Combustible liquids

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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