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Cetrimonium tosylate Structure

Cetrimonium tosylate

Chemical Properties

Melting point 245-250°C
Density  0.49[at 20℃]
storage temp.  Store below +30°C.
solubility  10g/l
PH 6-8 (H2O, 20℃)(saturated aqueous solution)
Merck  13,2034
BRN  5470332
InChI InChI=1S/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey MZMRZONIDDFOGF-UHFFFAOYSA-M
SMILES C1(S([O-])(=O)=O)=CC=C(C)C=C1.C(CC[N+](C)(C)C)CCCCCCCCCCCCC
LogP -0.62-3.23
EPA Substance Registry System 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (138-32-9)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  29239000
Toxicity LD50 orally in Rabbit: 675 mg/kg

Usage And Synthesis

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