80-40-0

Name Ethyl p-toluenesulfonate
CAS 80-40-0
EINECS(EC#) 201-276-7
Molecular Formula C9H12O3S
MDL Number MFCD00009100
Molecular Weight 200.25
MOL File 80-40-0.mol
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Chemical Properties

Appearance clear colorless to pale brown liquid after melting
Melting point  29-33 °C(lit.)
Boiling point  158-162 °C10 mm Hg(lit.)
density  1.174 g/mL at 25 °C(lit.)
vapor pressure  0.6 hPa (14 °C)
refractive index  n20/D 1.511(lit.)
Fp  316 °F
storage temp.  2-8°C
solubility  1.24g/l
form  Liquid After Melting
color  Clear colorless to pale brown
Water Solubility  Insoluble
Sensitive  Moisture Sensitive
Merck  14,3858
BRN  611213
InChI 1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey VRZVPALEJCLXPR-UHFFFAOYSA-N
SMILES CCOS(=O)(=O)c1ccc(C)cc1
CAS DataBase Reference 80-40-0(CAS DataBase Reference)
NIST Chemistry Reference Benzenesulfonic acid, 4-methyl-, ethyl ester(80-40-0)
EPA Substance Registry System 80-40-0(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN2811
WGK Germany  3
RTECS  XT6825000
F  21
Autoignition Temperature 500 °C
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29041000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
Moderately toxic by subcutaneous and intraperitoneal routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidzing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits hlghly toxic fumes of SOx. See also SULFONATES and ESTERS.
Hazardous Substances Data 80-40-0(Hazardous Substances Data)

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Material Safety Data Sheet(MSDS)

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