Benzylhexadecyldimethylammonium chloride

HCID 31202CAS 122-18-9

Basic information

Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey
SXPWTBGAZSPLHA-UHFFFAOYSA-M
Molecular formula
C25H46ClN
Average molar mass
396.1 g/mol
Monoisotopic mass
395.3318782

Names & identifiers

Preferred name
Benzylhexadecyldimethylammonium chloride
IUPAC
benzyl-hexadecyl-dimethylazanium chloride
English name
Benzyldimethylhexadecylammonium chloride
Molecular formula
C25H46ClN
Molecular weight
396.09

Names & synonyms

122-18-9Cetalkonium chlorideBenzyldimethylhexadecylammonium chlorideCetyl zephiranBanicolAcinolCdbacBicetoniumZettynCetyldimethylbenzylammonium chlorideBenzaletasTetraseptan
Show more names
HDBACBENZYLCETYLDIMETHYLAMMONIUM CHLORIDECKCcetalkoniumHEXADECYL DIMETHYL BENZYL AMMONIUM CHLORIDE1627
BaktoniumCetylonCetolDmcbacSpilanBenzylhexadecyldimethylammonium chlorideAmmonyx GDehyquart CBB

Database identifiers

CAS
122-18-9
PubChem CID
31202
ChEMBL
CHEMBL1644450
UNII
85474O1N9D
EC Number
204-526-3

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
17
Heavy atoms
27

Experimental & physicochemical properties

Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
55 · 55-65 °C(lit.)
Boiling point
550.14 °C · 550.14°C (rough estimate)
Density
0.9089 · 0.9089 (rough estimate)
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
1.6 · 1.6000 (estimate)
storage temp.
room temp

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (77%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (96%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (18.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H400 (96.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (17.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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 126 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride

Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

Status: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23672

Cetalkonium chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Benzalkonium halides
Hazards Summary · 1 item

A mild to moderate eye irritant; Oral lethal-dose (rat) >500 mg/kg; [RTECS] Quaternary ammonium compounds are corrosive in concentrated solutions and may cause skin sensitization from repeated occupational exposure; [Reference #1] Causes burns; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS]

Hazard Classes and Categories · 5 items

Acute Tox. 4 (98.4%);Acute Tox. 4 (77%);Skin Corr. 1A (96%);Eye Dam. 1 (18.3%);Aquatic Acute 1 (96.8%);Aquatic Chronic 1 (17.5%)

Acute toxicity (ingestion) - category 4;Acute toxicity (dermal) - category 4;Acute toxicity (inhalation) - category 2;Skin corrosion - category 1B

Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1

Skin corrosion/irritation - Category 1;Serious eye damage/eye irritation - Category 1

Hazardous to the aquatic environment (Acute) - Category 1

Toxicology

Adverse EffectsDermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Regulatory information

Regulatory Information · 4 items

Chemical: Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride

Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

Status: Active Update: 04-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23672

Cetalkonium chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

F
3
wgk
3
tsca
TSCA listed
rtecs
BO6822450
ridadr
UN 3077 9/PG 3
hs_code
29239000

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

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.

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

Uses & manufacturing

Uses · 2 items

A quaternary surfactant used as a germicide/fungicide in leather processing, textile dyeing, and silicone-based water repellents; [Merck Index]

Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

Use ClassificationCosmetics -> Preservative
General Manufacturing InformationBenzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1): ACTIVE
Applications · 4 items

UsesBenzyldimethylhexadecylammonium chloride is used in leather processing, textile dyeing. A mildew preventive in silicone-based water repellents. Compatible with many nonionic detergents. Active in moderately alkaline solutions.

UsesLabelled Cetalkonium Chloride. Cationic quaternary ammonium surfactant germicide and fungicide. Used in leather processing, textile dyeing. A mildew preventive in silicone-based water repellents. Comp atible with many nonionic detergents. Active in moderately alkaline solutions. Anti-infective (topical).

Usesquaternary ammonium compound for use as germicide and fungicide in ophthalmie products and cosmetics like deodorants; in leather processing, textile dyeing; as a topical anti-infective.

General DescriptionBenzyldimethylhexadecylammonium chloride is a cationic surfactant.

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州埃肯新材料有限公司15258847994
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

5 records

Linked notes

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