Product Name

  • Name

    triethylhexadecylammonium bromide

  • EINECS
  • CAS No. 13316-70-6
  • Article Data17
  • CAS DataBase
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C22H48 N . Br
  • Boiling Point °Cat760mmHg
  • Molecular Weight 406.534
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion. Experimental reproductive effects. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Br−, NH3 and NOx. See also BROMIDES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 13316-70-6 (triethylhexadecylammonium bromide)
  • Hazard Symbols
  • Synonyms 1-Hexadecanaminium,N,N,N-triethyl-, bromide (9CI); Ammonium, triethylhexadecyl-, bromide (8CI);Triethylhexadecylammonium bromide (6CI,7CI); CTEABr; Cetyltriethylammoniumbromide; Hexadecyltriethylammonium bromide; N,N,N-Triethylhexadecan-1-ammoniumbromide; Triethylcetylammonium bromide; n-Hexadecyltriethylammonium bromide
  • PSA 0.00000
  • LogP 4.34820

Cetyltriethylammonium bromide Chemical Properties

Molecular Structure of Cetyltriethylammonium bromide (CAS NO. 13316-70-6):

EINECS: 236-347-1
IUPAC Name: Triethyl(hexadecyl)azanium bromide 
Molecular Formula: C22H48BrN
Molecular Weight: 406.527220 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 1
Freely Rotating Bonds: 18
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
InChI: InChI=1S/C22H48N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey: HNJXPTMEWIVQQM-UHFFFAOYSA-M
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.19
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 5.5): 27.33
ACD/BCF (pH 7.4): 27.33
ACD/KOC (pH 5.5): 371.52
ACD/KOC (pH 7.4) of Cetyltriethylammonium bromide (CAS NO. 13316-70-6): 371.52

Cetyltriethylammonium bromide Toxicity Data With Reference

1.    

eye-rbt 1% SEV

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),428.
2.    

orl-mus LD50:600 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),428.
3.    

ivn-mus LD50:50 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),428.

Cetyltriethylammonium bromide Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. Experimental reproductive effects. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Br−, NH3 and NOx. See also BROMIDES.

Cetyltriethylammonium bromide Specification

  Cetyltriethylammonium bromide with cas registry number of 13316-70-6 is also known as Ammonium, cetyldiethylethyl-, bromide ; Ammonium, triethylhexadecyl-, bromide (8CI) ; CDEA Br ; Hexadecyltriethylammonium bromide ; N,N,N-Triethyl-1-hexadecanaminium bromide ; Triethylhexadecylammonium bromide ; Triethylpalmitylammonium bromide ; 1-Hexadecanaminium, N,N,N-triethyl-, bromide ; 1-Hexadecanaminium, N,N,N-triethyl-, bromide (9CI) .
 

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