Basic information
- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
JBIROUFYLSSYDX-UHFFFAOYSA-M- Molecular formula
- C21H38N.Cl
- Average molar mass
- 340 g/mol
Overview
Benzododecinium chloride is the organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations. It has a role as a surfactant, an antiseptic drug, a disinfectant and an antifouling biocide. It is a quaternary ammonium salt and an organic chloride salt. It contains a benzododecinium.
Names & identifiers
- Preferred name
- Benzododecinium Chloride
- IUPAC
- benzyl-dodecyl-dimethylazanium chloride
Names & synonyms
139-07-1N-Benzyl-N,N-dimethyldodecan-1-aminium chlorideBenzododecinium chlorideBenzyldimethyldodecylammonium chlorideCequartyl ABenzyldodecyldimethylammonium chlorideTriton K60Lauryldimethylbenzylammonium chloridedodecyldimethylbenzylammonium chlorideCaswell No. 073ACaswell No. 416CDimethyldodecylbenzylammonium chloride
Show more names
Benzododecinium chloride [INN]N-Lauryldimethylbenzylammonium chlorideN-Dodecyl-N,N-dimethylbenzenemethanaminium chlorideTetranilSwanolN-Dodecyldimethylbenzylammonium chlorideDTXSID2040787EINECS 205-351-5
Database identifiers
- CAS
139-07-1- PubChem CID
- 8753
- DTXSID
DTXSID2040787- ChEMBL
CHEMBL1885899- ChEBI
CHEBI:167208- UNII
- Y5A751G47H
- EC Number
- 205-351-5
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
CosmeticsPreservative; Antistatic
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Biocide
Safety & regulation
GHS classification
GHS Classification
Danger
H302+H312 (33.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 313 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride
2004/129/EC
Status: Active Update: 29-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30313
N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Benzalkonium halides
Hazards Summary
Mild skin irritant; Ingestion hazard; [EPA OHM/TADS] Occupational asthma in a pharmacist confirmed by broncho-provocation testing and PEF; [Malo] Allergic contact dermatitis is infrequently documented for quaternary ammonium compounds; [Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingested; Affected patients may have methemoglobinemia and hemolysis and die within 1-3 hours; Elevated liver function tests were reported; Concentrated solutions can cause burns; No data on carcinogenicity or teratogenicity; [IPCS-PIMs]
Hazard Classes and Categories
Acute Tox. 4 (99.7%)
Acute toxicity (ingestion) - category 4
Skin corrosion/irritation - Category 1
Acute toxicity (Oral) - Category 4
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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.
Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)
Uses & manufacturing
Uses
Used in contact lens solutions, eye solutions, cosmetics, and mouthwashes; also used in medical and dental cold sterilization solutions; [Marks, p. 236] Quarternary ammonium compounds are also used as algaecides/slimicides (swimming pools, industrial water reservoirs, and farm ponds), antiseptics for cleaning wounds, antistatic agents for textiles, softeners for paper products, and pigment dispersers; [IPCS-PIMs]
Using Disinfectants or Biocides [Category: Clean]
Use ClassificationCosmetics -> Preservative; Antistatic
General Manufacturing InformationBenzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1): ACTIVE
Related reactions
3 records
Linked notes
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