Thioanisole Structure

Thioanisole

Chemical Properties

Melting point −15 °C(lit.)
Boiling point 188 °C(lit.)
Density  1.057 g/mL at 20 °C(lit.)
vapor pressure  38.5 Pa (20 °C)
FEMA  3873 | METHYL PHENYL SULFIDE
refractive index  n20/D 1.587(lit.)
FLAVIS Number 12.162 | Methyl phenyl sulfide
Flash point 135 °F
storage temp.  Store below +30°C.
solubility  <1mg/l
form  Liquid
color  Clear light yellow to brown-yellow
Specific Gravity 1.058
Odor at 0.10 % in propylene glycol. toluene solvent spicy woody sawdust
Odor Type solvent
biological source synthetic
Water Solubility  INSOLUBLE
Sensitive  Stench
JECFA Number 459
BRN  1904179
Henry's Law Constant 4.0×10-2 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
Dielectric constant 4.7599999999999998
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
InChI 1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey HNKJADCVZUBCPG-UHFFFAOYSA-N
SMILES CSc1ccccc1
LogP 2.9 at 25℃
CAS DataBase Reference 100-68-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) METHYL PHENYL SULFIDE
EWG's Food Scores 1
FDA UNII BB4K737YF4
NIST Chemistry Reference Benzene, (methylthio)-(100-68-5)
EPA Substance Registry System Benzene, (methylthio)- (100-68-5)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H302-H315-H317-H411
Precautionary statements P261-P264-P273-P280-P301+P312-P302+P352
Hazard Codes  Xn
Risk Statements  22-36/37/38
Safety Statements  26-36/39-36/37
RIDADR  UN 1993 3/PG 3
WGK Germany  3
RTECS  DA6200000
F  13
Hazard Note  Harmful/Stench
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29309070
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1B
Toxicity LD50 orally in Rabbit: 891 mg/kg
NFPA 704:
2
2 0

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