778-28-9

Name P-TOLUENESULFONIC ACID N-BUTYL ESTER
CAS 778-28-9
EINECS(EC#) 212-295-5
Molecular Formula C11H16O3S
MDL Number MFCD00027203
Molecular Weight 228.31
MOL File 778-28-9.mol
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Chemical Properties

Appearance clear light yellow to brownish liquid
Boiling point  170-172 °C (10 mmHg)
density  1.12
vapor pressure  0.031Pa at 25℃
refractive index  1.503-1.505
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), DMSO (Sparingly)
form  Liquid
color  Clear light yellow to brownish
Water Solubility  44.9mg/L at 20℃
InChI InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey QYJXDIUNDMRLAO-UHFFFAOYSA-N
SMILES C1(S(OCCCC)(=O)=O)=CC=C(C)C=C1
LogP 2.8 at 20℃
CAS DataBase Reference 778-28-9(CAS DataBase Reference)
EPA Substance Registry System Benzenesulfonic acid, 4-methyl-, butyl ester (778-28-9)

Safety Data

Hazard Codes  Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RTECS  XT6400000
TSCA  TSCA listed
REACH Registrations Active
HS Code  29041000

Hazard Information

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