Benzyldimethyl(octadecyl)ammonium-chlorid

Benzyldimethylstearylammonium chloride

HCID 31204CAS 122-19-0

Grundinformationen

Standard-SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey
SFVFIFLLYFPGHH-UHFFFAOYSA-M
Summenformel
C27H50ClN
Durchschnittliche Molmasse
424,1 g/mol
Monoisotopische Masse
423,3631783

Namen und Bezeichner

Bevorzugter Name
Benzyldimethylstearylammonium chloride
IUPAC
benzyl-dimethyl-octadecylazanium chloride
Lokaler Name
Benzyldimethyl(octadecyl)ammonium-chlorid
Englischer Name
Benzyldimethylstearylammonium Chloride
Summenformel
C27H50ClN
Molmasse
424.15

Namen und Synonyme

122-19-0Stearyldimethylbenzylammonium chlorideStearalkonium chlorideBENZYLDIMETHYLSTEARYLAMMONIUM CHLORIDEStebacStedbacOrthosan MBCarsoquat sdq-25Quaternol 1Benzyldimethyloctadecylammonium chlorideAmmonyx 4Carsoquat sdq-85
Weitere Namen anzeigen
18272bOCTADECYLDIMETHYL BENZYL AMMONIUM CHLORIDESKCjsoftc4ammonyx4
Ammonyx CA specialIntexsan SB-85Ammonyx 490Barquat SB-25Intexan SB-85Algene SC 25Triton X-40Ammonyx 4002

Datenbank-Bezeichner

CAS
122-19-0
PubChem CID
31204
DTXSID
DTXSID2025139
ChEMBL
CHEMBL118663
UNII
0OUO26BB88
EC Number
204-527-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
19
Schwere Atome
29

Experimentelle und physikochemische Eigenschaften

LogPlog Kow= 3.23
Density · 2 Einträge

greater than 1.1 at 68 °F (USCG, 1999)

GREATER THAN 1.1 @ 20 °C (SOLID)

Color/Form · 2 Einträge

WHITE, CRYSTALLINE POWDER

SOLID OR VISCOUS LIQ, WHITE

Solubility · 2 Einträge

less than 1 mg/mL at 70 °F (NTP, 1992)

SOL IN WATER, CHLOROFORM, BENZENE, ACETONE, XYLENE

Boiling PointDECOMP @ 120 °C
DecompositionWhen heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/.

Physikochemische Eigenschaften

Schmelzpunkt
54 · 54-56°C
Dichte
0.98 · 0.98
Dampfdruck
0 Pa · 0Pa at 25℃
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 5.4% (32 of 591) of reports.

Danger

H302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (84.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (83.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 591 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 32 of 591 reports by companies.;There are 20 notifications provided by 559 of 591 reports by companies with hazard statement code(s).;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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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

Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24960

Stearalkonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Benzalkonium halides
DOT LabelPoison
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen and hydrochloric acid fumes may form in fires. (USCG, 1999)
Health HazardsIngestion causes gastrointestinal disturbances. Contact with chemical irritates eyes and skin and may damage eyes. (USCG, 1999)
Hazards Summary · 1 Eintrag

A skin and eye irritant; May damage eyes; [HSDB] 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] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [MSDSonline] See Benzalkonium chloride.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material at ambient temperatures. (NTP, 1992)

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 1 Eintrag

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Isolation and Evacuation · 1 Eintrag

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3X10+7(SRC), determined from a structure estimation method(2), indicates that benzyldimethylstearylammonium chloride is expected to be immobile in soil(SRC). Volatilization of benzyldimethylstearylammonium chloride from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.2X10-11 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Benzyldimethylstearylammonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-13 mm Hg(SRC), determined from a fragment constant method(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3X10+7(SRC), determined from an estimation method(2), indicates that benzyldimethylstearylammonium chloride is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 4.2X10-11 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 71(SRC), from its log Kow of 3.23(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is moderate. Using the SCAS method and the OECD Confirmatory test, 94 and 95% benzyldimethylstearylammonium chloride was degraded, respectively(8), suggesting that biodegradability in water is likely to be important(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyldimethylstearylammonium chloride, which has an estimated vapor pressure of 1.2X10-13 mm Hg at 25 °C(SRC), using a fragment constant estimation method(2), is expected to exist in the particulate phase in the ambient atmosphere. Particulate-phase benzyldimethylstearylammonium chloride may be removed from the air by wet and dry deposition(SRC).

Adverse Effects · 1 Eintrag

Neurotoxin - Other CNS neurotoxin;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect;Dermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for benzyldimethylstearylammonium chloride can be estimated to be 3X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzyldimethylstearylammonium chloride is expected to be immobile in soil.

Human Toxicity Excerpts · 5 Einträge

SYMPTOMATOLOGY: 1. INGESTION OF CONCN SOLN LEADS TO IMMEDIATE BURNING PAIN IN MOUTH, THROAT, & ABDOMEN. PROFUSE SALIVATION. 2. HYPOTENSION...SIGNS & SYMPTOMS OF CIRCULATORY SHOCK. 3. ...APPREHENSION, RESTLESSNESS, CONFUSION, & WEAKNESS. /BENZALKONIUM CHLORIDE/

SYMPTOMATOLOGY /AFTER INGESTION OF CONCENTRATED SOLUTION/: 4. ...MUSCLE WEAKNESS...ASSOCIATED WITH...MUSCLE FASCICULATION... 5. CNS DEPRESSION...WEAK CONVULSIVE MOVEMENTS... MAY OR MAY NOT BE DUE TO CEREBRAL ISCHEMIA. 6. LABORED BREATHING & CYANOSIS DUE TO WEAKNESS OF RESP MUSCLES OR TO CIRCULATORY SHOCK. /BENZALKONIUM CHLORIDE/

SYMPTOMATOLOGY /AFTER INGESTION OF CONCENTRATED SOLUTION/: 7. ASPHYXIAL DEATH...TERMINAL CONVULSION, DUE TO PARALYSIS OF MUSCLES OF RESP OR TO CARDIOVASCULAR COLLAPSE. ...DEATH IS EXPECTED...WITHIN 1 OR 2 HR AFTER INGESTION. 8. IF PATIENT SURVIVES A PERIOD OF SEVERE HYPOTENSION, RENAL FAILURE MAY DEVELOP. /BENZALKONIUM CHLORIDE/

INGESTION CAUSES GASTROINTESTINAL DISTURBANCES. CONTACT WITH CHEM IRRITATES EYES & SKIN & MAY DAMAGE EYES.

Poison by intraperitoneal route. Moderately toxic by ingestion. A human skin irritant and severe experimental eye irritant.

Artificial Pollution Sources · 1 Eintrag

Benzyldimethylstearylammonium chloride's production and use in contraceptive formulations(1), in industrial and institutional cleaners, various detergents, emulsion polymerization process, and paper and textile processing(2) may result in its release to the environment through various waste streams(SRC).

Regulatorische Informationen

Regulatory Information · 4 Einträge

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

Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24960

Stearalkonium chloride: Does not have an individual approval but may be used under an appropriate group standard

FDA Requirements · 1 Eintrag

The food additive, quaternary ammonium chloride combination, may be safely used in food in accordance with the following conditions: (a) The additive contains the following compounds: ... n-octadecyl dimethyl benzyl ammonium chloride ... (b) The additive meets the following specifications: pH (5% active solution) 7.0-8.0; total amines, maximum 1% as combined free amines and amine hydrochlorides. (c) The additive is used as an antimicrobial agent, as defined in 170.3(o)(2) of this chapter, in raw sugar cane juice. It is added prior to clarification when further processing of the sugar cane must be delayed. (d) The additive is applied to the sugar juice in the following quantities, based on the weight of the raw sugar: ... n-octadecyl dimethyl benzyl ammonium chloride 0.25-1.0 ppm ... .

Sicherheitsdaten

wgk
WGK 2
tsca
TSCA listed
hs_code
29239000
RTECS-Nr.
BO7000000
risk_code
22-38-41-50-34-21/22
Toxizität
LD50 oral in rat: 1250mg/kg

Chemie und Industrie

Verwendung und Herstellung

Uses · 6 Einträge

CIR ingredient: Stearalkonium Chloride

Used as a cationic surfactant, wetting agent, emulsifier, germicide, fungicide, disinfectant, and slimicide; Used in industrial cleaners, emulsion polymerization processes, paper and textile processing, hair colors and conditioners (softener), lipsticks and lotions (emollient), textiles (softener), hair sprays (antistatic agent), and contraceptive formulations; [HSDB] Quaternary 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]

Pulp and Paper Processing [Category: Industry];Textiles (Fiber & Fabric Manufacturing) [Category: Industry];Using Disinfectants or Biocides [Category: Clean];Dressing Hair [Category: Other]

CATIONIC SURFACTANT

SOFTENERS; WETTING AGENTS; EMULSIFIERS; SOME GRADES ARE GERMICIDES, FUNGICIDES, DISINFECTANTS, & SLIMICIDES. /AMMONYX/

Industrial and institutional cleaners, various detergents, emulsion polymerization processes, paper and textile processing.

U.S. Production · 3 Einträge

2023: <75,000 lb;2022: 75,000 - <500,000 lb;2021: 75,000 - <500,000 lb;2020: 75,000 - <500,000 lb

(1979) PROBABLY GREATER THAN 1.59X10+7 GRAMS

(1981) 1.34X10+9 GRAMS

Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent);Other
Methods of ManufacturingREACTION OF DIMETHYL-N-OCTADECYLAMINE WITH BENZYL CHLORIDE
Formulations/Preparations · 3 Einträge

"AMMONYX" TRADEMARK FOR A SERIES OF QUATERNARY AMMONIUM CHLORIDE DERIVATIVES, IN WHICH THE SUBSTITUENTS ARE METHYL, ETHYL, BENZYL, STEARYL, LAURYL, PHENYL & CETYL GROUPS. /AMMONYX/

"TRITON" TRADEMARK FOR SURFACTANTS BASED ON ALKYLARYL POLYETHER ALC, SULFONATES & SULFATES; NONIONIC, CATIONIC & ANIONIC TYPES; OIL-SOL & WATER-SOL TYPES. SUPPLIED AS VISCOUS LIQ, PASTES, OR AQ SOLN. SURFACE ACTIVITY INCL DETERGENCY, EMULSIFICATION, WETTING, SPREADING, DISPERSING ACTION. /TRITON/

"STEDBAC" TRADEMARK FOR STEARYL DIMETHYL BENZYL AMMONIUM CHLORIDE, A HAIR CONDITIONER USED PRIMARILY IN AFTER-SHAMPOO HAIR RINSES.

Anwendungen

VerwendenStearyldimethylbenzylammonium chloride is a compound used in products for promoting skin cleanliness and health. It is used in hair care formulations, as a hair conditioner and cream rinse.

Darstellung · 1 Eintrag

synthetischeSynthesis of benzyldimethylstearylammonium chloride: put 450kg of dimethyl octadecylamine into the reaction kettle, heat to 80~85℃, and slowly add 180kg of benzyl chloride under stirring in 1.5~2h. Keep warm at 80~90℃ during the drop addition. After the dosing is completed, increase the temperature to 100~105℃, hold the reaction for several hours and take samples to measure the pH value. When the pH value of 1% aqueous solution reaches 6~6.5, the reaction is completed. Cool down to 60℃ and discharge to get benzyldimethylstearylammonium chloride.

Vor- und nachgelagerte Produkte

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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]
山东安米化工科技有限公司0533-0533-2115911 13396436781 · [email protected]
杭州埃肯新材料有限公司15258847994

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