三甲基十六烷基五氯酚铵

Description

trimethylcetyl ammonium pentachlorophenate · CAS 6899-10-1 · C19H42N+. UNII Z7FF1XKL7A. Melting Point: 240; Solubility: 100000.

Identification

CAS Registry Number	6899-10-1
PubChem CID	2681
Molecular formula	C19H42N+
IUPAC name	hexadecyl(trimethyl)azanium
UNII (FDA)	Z7FF1XKL7A

Computed Descriptors

Molecular Weight	284.5
XLogP3	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	15
Exact Mass	284.331725344
Monoisotopic Mass	284.331725344
Topological Polar Surface Area	0
Heavy Atom Count	20
Formal Charge	1

Physical & Chemical Properties

Melting Point	240
Solubility	100000

Physical description & handling notes

• 193.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5037028]
• 195.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5037028]
• 195.73 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Documented Uses

• Cetyl-Trimethyl-Ammonium, Cetrimonium, cetyl trimethylammonium, or hexadecyltrimethylammonium is a quaternary ammonium cation whose bromide and chloride salts are used as antiseptics.
• Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
• D08 - Antiseptics and disinfectants
• D08A - Antiseptics and disinfectants
• D08AJ - Quaternary ammonium compounds
• QD08 - Antiseptics and disinfectants

Synonyms

cetrimonium; Cetyltrimethylammonium; HEXADECYLTRIMETHYLAMMONIUM; Cetyltrimethylammonium ion; Cetyltrimethylammonium cation; Trimethylhexadecylammonium; Hexadecyltrimethylammonium ion; 6899-10-1; Cetrimonium ion; N,N,N-Trimethyl-1-hexadecanaminium; Cetrimonium cation; Ammonium, hexadecyltrimethyl-; 1-Hexadecanaminium, N,N,N-trimethyl-; Hexadecyltrimethylammonium cation; Z7FF1XKL7A; CHEBI:39561

Frequently Asked Questions

What are the CAS number and molecular formula of trimethylcetyl ammonium pentachlorophenate?

CAS 6899-10-1; molecular formula C19H42N+; molecular weight — g/mol.

What other names is trimethylcetyl ammonium pentachlorophenate known by?

cetrimonium, Cetyltrimethylammonium, HEXADECYLTRIMETHYLAMMONIUM, Cetyltrimethylammonium ion, Cetyltrimethylammonium cation, Trimethylhexadecylammonium.

What are the key physical properties of trimethylcetyl ammonium pentachlorophenate?

Melting Point: 240; Solubility: 100000.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.