100-68-5

Name Thioanisole
CAS 100-68-5
EINECS(EC#) 202-878-2
Molecular Formula C7H8S
MDL Number MFCD00008559
Molecular Weight 124.2
MOL File 100-68-5.mol

Chemical Properties

Appearance Colorless to yellow liquid
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
refractive index  n20/D 1.587(lit.)
Fp  135 °F
storage temp.  2-8°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
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
biological source synthetic
Odor Type solvent
Water Solubility  INSOLUBLE
Sensitive  Stench
Detection Methods GC,NMR
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
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℃
Uses
Intermediate, solvent for polymeric systems.
CAS DataBase Reference 100-68-5(CAS DataBase Reference)
NIST Chemistry Reference Benzene, (methylthio)-(100-68-5)
EPA Substance Registry System 100-68-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H315-H317-H411
Precautionary statements  P261-P264-P273-P280-P301+P312-P302+P352
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
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 .
S36/39:Wear suitable protective clothing and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 1993 3/PG 3
WGK Germany  3
RTECS  DA6200000
13
Hazard Note  Harmful/Stench
TSCA  Yes
REACH Registrations Active
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

Hazard Information

Material Safety Data Sheet(MSDS)

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