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| CAS No.: | 138-32-9 |
|---|---|
| Name: | Cetrimonium tosylate |
| Molecular Structure: | |
|
|
|
| Formula: | C19H42N.C7H7O3S |
| Molecular Weight: | 455.746 |
| Synonyms: | Quatrol;1-Hexadecanaminium,N,N,N-trimethyl-,salt with 4-methylbenzenesulfonic acid (1:1);Tricetol; |
| EINECS: | 205-324-8 |
| Density: | 0.49[at 20℃] |
| Melting Point: | 245-250°C |
| Appearance: | paste |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | 26-36 |
| PSA: | 65.58000 |
| LogP: | 8.15380 |
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Chemistry
Molecular Structure of Cetrimonium tosylate (CAS NO.138-32-9):
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IUPAC Name: Hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonate
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
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
Molecular Weight: 455.73716 [g/mol]
Molecular Formula: C26H49NO3S
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 205-324-8
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements of Cetrimonium tosylate (CAS NO.138-32-9): 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Specification
Cetrimonium tosylate (CAS NO.138-32-9), its Synonyms are 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) ; Cetyl trimethyl ammonium p-toluene sulfonate ; N,N,N-Trimethyl-1-hexadecanaminium salt with 4-methylbenzenesulfonic acid ; Trimethylcetylammonium p-toluenesulfonate ; 1-Hexadecanaminium, N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1) ; Hexadecyltrimethylammonium toluene-p-sulphonate ; N,N,N-Trimethyl-1-hexadecanaminium, salt with 4-methylbenzenesulfonic acid (1:1) .