4500-58-7

Name 2-Ethylbenzenethiol
CAS 4500-58-7
EINECS(EC#) 224-811-6
Molecular Formula C8H10S
MDL Number MFCD00010022
Molecular Weight 138.23
MOL File 4500-58-7.mol
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Chemical Properties

Appearance clear light yellow liquid
Melting point  -30°C (estimate)
Boiling point  203-205 °C (lit.)
density  1.025 g/mL at 25 °C
FEMA  3345
refractive index  n20/D 1.5682(lit.)
Fp  177 °F
pka 6.81±0.43(Predicted)
Specific Gravity 1.025
Odor at 0.10 % in propylene glycol. sulfurous roasted meaty smoky
biological source synthetic
Odor Type sulfurous
Sensitive  Air Sensitive
JECFA Number 529
BRN  2553288
Major Application flavors and fragrances
InChI 1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey ABROBCBIIWHVNS-UHFFFAOYSA-N
SMILES CCc1ccccc1S
LogP 3.51
CAS DataBase Reference 4500-58-7(CAS DataBase Reference)
NIST Chemistry Reference 2-Ethylbenzenethiol(4500-58-7)
EPA Substance Registry System 4500-58-7(EPA Substance)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  2810
WGK Germany  3
TSCA  T
HazardClass  6.1
PackingGroup  III
HS Code  29309090
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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