IUPAC Name: Benzyl-hexadecyl-dimethylazanium chloride
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25; /h17-19,21-22H,4-16,20,23-24H2,1-3H3; 1H/q+1; /p-1
InChIKey: SXPWTBGAZSPLHA-UHFFFAOYSA-M
Molecular Weight: 396.09244 [g/mol]
Molecular Formula: C25H46ClN
H-Bond Donor: 0
H-Bond Acceptor: 1
storage temp.: 2-8 °C
Water Solubility: MODERATELY SOLUBLE
EINECS: 204-526-3
Melting Point: 55-65 °C(lit.)
Product Categories: Ammonium Chlorides (Quaternary); Aromatic Quaternary Ammonium Salts (Surfactants); Cationic Surfactants; Functional Materials; Quaternary Ammonium Compounds; Surfactants
Appearance: white to creamy-white crystalline powder
Classification Code of Benzyldimethylcetylammonium chloride (CAS NO.122-18-9): Anti-infective, topical; Skin / Eye Irritant
1. | eye-rbt 150 mg MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),349. | ||
2. | eye-gpg 500 mg MOD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),349. | ||
3. | orl-rat LD:>500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),39. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Hazard Codes: Xi,N,C
Risk Statements: 36/37/38-50/53-50-34-21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R50:Very toxic to aquatic organisms.
R34:Causes burns.
R21/22:Harmful in contact with skin and if swallowed.
Safety Statements: 61-45-36/37/39-26-60
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S60:This material and its container must be disposed of as hazardous waste.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS of Benzyldimethylcetylammonium chloride (CAS NO.122-18-9): BO6822450
Benzyldimethylcetylammonium chloride (CAS NO.122-18-9), its Synonyms are Cetyl dimethyl benzyl ammonium chloride ; N-Hexadecyl-N,N-dimethylbenzenemethanaminium chloride ; Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride ; Cetalkonium chloride ; Acinol ; Ammonium, benzylhexadecyldimethyl-, chloride ; Hexadecyldimethylbenzylammonium chloride ; N-Benzyl-N-cetyldimethylammonium chloride .
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