108-40-7

Name 3-Methylbenzenethiol
CAS 108-40-7
EINECS(EC#) 203-578-4
Molecular Formula C7H8S
MDL Number MFCD00004843
Molecular Weight 124.2
MOL File 108-40-7.mol
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Chemical Properties

Appearance clear colorless to light yellow liquid
Melting point  <-20°C
Boiling point  196 °C(lit.)
density  1.044 g/mL at 25 °C(lit.)
refractive index  n20/D 1.5762(lit.)
Fp  163 °F
Water Solubility  Insoluble in water
form  Liquid
pka pK1:6.58 (25°C)
color  Clear colorless to light yellow
Specific Gravity 1.644
Sensitive  Stench
Merck  14,9325
BRN  1851959
InChI 1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey WRXOZRLZDJAYDR-UHFFFAOYSA-N
SMILES Cc1cccc(S)c1
LogP 2.980 (est)
CAS DataBase Reference 108-40-7(CAS DataBase Reference)
NIST Chemistry Reference Benzenethiol, 3-methyl-(108-40-7)
EPA Substance Registry System 108-40-7(EPA Substance)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN2810
WGK Germany  3
RTECS  XT8700000
Hazard Note  Harmful/Irritant/Stench
TSCA  T
HazardClass  6.1
PackingGroup  III
HS Code  29309090
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 108-40-7(Hazardous Substances Data)

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Hazard Information

Material Safety Data Sheet(MSDS)

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