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Thiophenol Structure

Thiophenol

Chemical Properties

Melting point -15 °C
Boiling point 169 °C(lit.)
Density  1.078
vapor density  3.8 (vs air)
vapor pressure  1.4 mm Hg ( 20 °C)
refractive index  n20/D 1.588(lit.)
FEMA  3616 | BENZENETHIOL
Flash point 123 °F
storage temp.  Store at RT.
solubility  DMSO, Ethyl Acetate
pka 6.6(at 25℃)
form  Liquid
color  Clear colorless to slightly yellow
Odor Unpleasant
PH 5 (20°C in H2O, saturated aqueous solution)
Odor Type meaty
Water Solubility  insoluble
Specific Heat Capacity Cp(liquid): 1.57 J/(g·K), at 25℃
Sensitive  Stench
Merck  14,9355
JECFA Number 525
BRN  506523
Henry's Law Constant 2.9×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 4.4(25℃)
Exposure limits TLV-TWA 0.5 ppm (~2.5 mg/m3 ) (ACGIH).
Stability Stable. Flammable. May form explosive mixtures with air. Stench. Incompatible with strong oxidizing agents.
Major Application agriculture
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
InChI 1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey RMVRSNDYEFQCLF-UHFFFAOYSA-N
SMILES Sc1ccccc1
LogP 2.33
CAS DataBase Reference 108-98-5(CAS DataBase Reference)
NIST Chemistry Reference Benzenethiol(108-98-5)
EPA Substance Registry System Thiophenol (108-98-5)

Safety Information

Hazard Codes  T+,T
Risk Statements  10-24/25-26-41-36/37/38
Safety Statements  23-26-28-36/37/39-45-28A-16
OEL Ceiling: 0.1 ppm (0.5 mg/m3) [15-minute]
RIDADR  UN 2337
WGK Germany  3
RTECS  DC0525000
F  10-13-23
Autoignition Temperature 450 °C
Hazard Note  Toxic/Stench
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  I
HS Code  29309099
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 1 Inhalation
Acute Tox. 2 Dermal
Acute Tox. 2 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Flam. Liq. 3
Repr. 2
Skin Irrit. 2
Hazardous Substances Data 108-98-5(Hazardous Substances Data)
Toxicity bird - wild,LD50,oral,24mg/kg (24mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.

MSDS

Usage And Synthesis