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202189-76-2

Name Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
CAS 202189-76-2
EINECS(EC#) 606-467-2
Molecular Formula C23H29NO4S
MDL Number MFCD11046409
Molecular Weight 415.55
MOL File 202189-76-2.mol
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Chemical Properties

Boiling point  545.1±45.0 °C(Predicted)
density  1.14±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  Sealed in dry,2-8°C
solubility  soluble in Dichloromethane;
pka 5.78±0.70(Predicted)
Water Solubility  5.717μg/L at 25℃
InChI InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
InChIKey BGUOPDZOVDIWLE-UHFFFAOYSA-N
SMILES C(C1C=CC(CCOS(C2C=CC(C)=CC=2)(=O)=O)=CC=1)(C1OCC(C)(C)N=1)(C)C
LogP 6.6

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

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