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Cas Database |
| Name |
Benzyldimethylhexadecylammonium chloride |
EINECS | 204-526-3 |
| CAS No. | 122-18-9 | Density | 0.9089 (rough estimate) |
| PSA | 0.00000 | LogP | 4.74830 |
| Solubility | Moderately soluble in water | Melting Point |
55-65 °C(lit.) |
| Formula | C25H46ClN | Boiling Point | 550.14°C (rough estimate) |
| Molecular Weight | 396.1 | Flash Point | N/A |
| Transport Information | UN 3077 9/PG 3 | Appearance | white to creamy-white crystalline powder |
| Safety | 61-45-36/37/39-26-60 | Risk Codes | 36/37/38-50/53-50-34-21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  N,  C
|
| Synonyms |
Querton 16BCL;Rodalon;Spilan;Win 357;Zettyn;Zettynchloride;Hexadecyl dimethyl benzyl ammonium chloride;Benzenemethanaminium,N-hexadecyl-N,N-dimethyl-, chloride (1:1);Ammonium,benzylhexadecyldimethyl-, chloride (8CI);Benzenemethanaminium,N-hexadecyl-N,N-dimethyl-, chloride (9CI);Benzylhexadecyldimethylammoniumchloride (6CI);Acetoquate CDAC;Acinol;Ammonyx G;Ammonyx T;Bicetonium;Bonjela;CDBAC;Cetol;Cetyl zephiran;Cetyldimethylbenzylammonium chloride;Dehyquart CDB;Dimethylbenzylcetylammoniumchloride;Hexadecylbenzyldimethylammonium chloride;N-Benzyl-N-cetyldimethylammonium chloride;N-Hexadecyl-N-benzyl-N,N-dimethylammonium chloride;Pharycidin Concentrate; |
Article Data | 16 |
Benzyldimethylhexadecylammonium chloride Chemical Properties
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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
Benzyldimethylhexadecylammonium chloride Toxicity Data With Reference
| 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. |
Benzyldimethylhexadecylammonium chloride Consensus Reports
Reported in EPA TSCA Inventory.
Benzyldimethylhexadecylammonium chloride Safety Profile
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
Benzyldimethylhexadecylammonium chloride Specification
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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