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Sulfogaiacol Structure

Sulfogaiacol

Chemical Properties

storage temp.  4°C, sealed storage, away from moisture
solubility  H2O : ≥ 50 mg/mL (206.36 mM) DMSO : 50 mg/mL (206.36 mM; Need ultrasonic)
form  Solid
color  White to off-white
InChI InChI=1S/C7H8O5S.K/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1
InChIKey QFRKWSPTCBGLSU-UHFFFAOYSA-M
SMILES C1(S([O-])(=O)=O)=CC=C(O)C(OC)=C1.[K+]
LogP -0.850 (est)
CAS DataBase Reference 1321-14-8(CAS DataBase Reference)
FDA 21 CFR 310.545
FDA UNII 21A795TNZD
ATC code R05CA09
EPA Substance Registry System Benzenesulfonic acid, hydroxymethoxy-, monopotassium salt (1321-14-8)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H301
Precautionary statements P264-P270-P301+P310+P330-P405-P501
WGK Germany  3

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