CETYLTRIMETHYLAMMONIUM BROMIDE, 98%

• CAS: 57-09-0
• Catalog Number: ACM57090
• Category: Main Products
• Molecular Weight: 364.456g/mol
• Molecular Formula: C19H42BrN
• Synonyms: Lissolamine A; N-Cetyltrimethylammonium bromide; HEXADECANAMINIUM, N,N,N-TRIMETHYL-, BROMIDE; Hexadecyltrimethylammonium bromide, >=96.0% (AT); ACMC-1AP33; cetyl-trimethyl-ammonium bromide; Zephirol Related Compound 5; WLN: 16K1&1&1 &Q &E; EPA Pesticide Chemical Code 069117; Cetrimonium bromide
• IUPAC Name: hexadecyl(trimethyl)azanium;bromide
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
• InChI Key: LZZYPRNAOMGNLH-UHFFFAOYSA-M
• Melting Point: 240.0°C
• Application: cetrimonium bromide is a quaternary ammonium salt that can prevent the proliferation of bacteria, fungi, and yeast in cosmetic preparation, while also act as an emulsifying agent.
• Storage: Store at RT.
• Complexity: 181
• Covalently-Bonded Unit Count: 2
• EC Number: 200-311-3
• Exact Mass: 363.25g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 21
• Monoisotopic Mass: 363.25g/mol
• NSC Number: 758401
• Rotatable Bond Count: 15
• Topological Polar Surface Area: 0A^2
• UNII: L64N7M9BWR

Synthetic Use

Upstream Synthesis Route 1

• 112-82-3
• 75-50-3

• 57-09-0

Reference: [1] Bulletin de la Societe Chimique de France, 1955, p. 634

Downstream Synthesis Route 1

• 20098-38-8
• 57-09-0

• 1897-41-2

Reference: [1] Patent: US4517129, 1985, A,

Downstream Synthesis Route 2

• 57-09-0

• 112-82-3
• 75-50-3

Reference: [1] Chemistry - A European Journal, 2012, vol. 18, # 7, p. 2143 - 2152

Downstream Synthesis Route 3

• 10485-09-3
• 57-09-0

• 71436-67-4

Reference: [1]Gautier et al.
[Bulletin de la Societe Chimique de France, 1955, p. 634]
Scheraga; Backus
[Journal of the American Chemical Society, 1951, vol. 73, p. 5108]

Downstream Synthesis Route 4

• 57-09-0

• 505-86-2

Reference: [1]Lindley, William A.; MacDowell, Denis W.H.
[Journal of Organic Chemistry, 1982, vol. 47, # 4, p. 705 - 709]

* For details of the synthesis route, please refer to the original source to ensure accuracy.