Dodecyltrimethylammonium chloride (HCID 8152)

Overview

The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Laurtrimonium Chloride...

Names & identifiers

Preferred name: Dodecyltrimethylammonium chloride
IUPAC: dodecyl(trimethyl)azanium chloride
English name: Dodecyltrimethylammonium chloride
Molecular formula: C15H34ClN
Molecular weight: 263.89

Names & synonyms

Dodecyltrimethylammonium chloride112-00-5DODECYL TRIMETHYL AMMONIUM CHLORIDEDTACAlicopLauryltrimethylammonium chlorideLaurtrimonium chlorideCation BBAliquat 4Dehyquart LTCation FBNissan Cation BB

Show more names

LTACTRIMETHYLDODECYLAMMONIUM CHLORIDEN,N,N-Trimethyl-1-dodecanaminium chloride123Caliguat4arguad12

n-Dodecyltrimethylammonium chlorideArquad 12Arquad 12DTrimethyllaurylammonium chlorideCatiogen LNissan Cation FBQuartamin 24PQuartamin 24W

Database identifiers

CAS: 112-00-5
PubChem CID: 8152
DTXSID: DTXSID1026900
ChEMBL: CHEMBL1884887
UNII: A81MSI0FIC
EC Number: 203-927-0

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 11
Heavy atoms: 17
Formal charge: 0
Complexity: 135

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Cosmetics · 2 items

Cosmetic ingredients (Laurtrimonium Chloride) -> CIR (Cosmetic Ingredient Review)

Antistatic; Preservative; Emulsifying

Vapor Pressure0.00000001 [mmHg]

Physical Description · 2 items

CBI; Liquid

Solid; [EPA ChAMP: Initial Risk-Based Prioritization Document] White to light yellow powder and chunks; Hygroscopic; [Acros Organics MSDS]

Physicochemical properties

Melting point: 37 °C · 37 °C
Boiling point: 412.12 °C · 412.12°C (rough estimate)
Density: 0.9265 · 0.9265 (rough estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 20 · n20/D 1.426
Flash point: 19 °C · 19 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: 2 O: · H2O: 50 mg/mL, clear, colorless
form: Powder or Chunks
color: White to light yellow
PH: 4 to · 4.0 to 7.5(50 g/L, 25 ℃)
Water Solubility: Soluble
Sensitive: Hygroscopic
BRN: 3915951 · 3915951
Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Cosmetics Ingredients Functions: PRESERVATIVESURFACTANT - EMULSIFYINGANTISTATIC
Cosmetic Ingredient Review (CIR): Dodecyltrimethylammonium chloride (112-00-5)
InChI: 1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChIKey: DDXLVDQZPFLQMZ-UHFFFAOYSA-M
SMILES: [Cl-].CCCCCCCCCCCC[N+](C)(C)C
LogP: 1.22 at · 1.22 at 25℃
Surface tension: 860 · 860-1710mN/m at 52.78-105.56g/L and 25℃
CAS DataBase Reference: 112 · 112-00-5(CAS DataBase Reference)
FDA UNII: 81 MSI0FIC · A81MSI0FIC
EPA Substance Registry System: Dodecyl trimethyl ammonium chloride (112-00-5)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H400
Precautionary statements: 264 · P264-P270-P273-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,N,Xn,F
Risk Statements: 36 · 36/37/38-50-50/53-22-67-11
Safety Statements: 26 · 26-61-60-37/39-36-16
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 3 · 3
RTECS: 2122500 · JR2122500
F: 3 · 3-10
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29239000 · 29239000
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
Toxicity: 50 orally · LD50 orally in Rabbit: 200 - 1000 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.5% (12 of 476) of reports.

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 476 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 4 items

Chemical: 1-Dodecanaminium, N,N,N-trimethyl-, chloride

1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N,N,N-trimethyl-, 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: 14-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24215

1-Dodecanaminium, N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment

Hazards SummaryIncreased liver weights (with corresponding histopathology) and increased ALT activity in repeated-dose oral studies of animals; [EPA ChAMP: Hazard Characterizations] An irritant; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and Categories · 4 items

Acute Tox. 4 (87.2%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Hazardous to the aquatic environment (Acute) - Category 1

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Toxicity Summary · 2 items

The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Laurtrimonium Chloride...

Safe for use in cosmetics, with qualifications

Safety data

F: 3-10
wgk: 3
tsca: TSCA listed
rtecs: JR2122500
ridadr: UN 3077 9/PG 3
hs_code: 29239000
Toxicity: LD50 orally in Rabbit: 200 - 1000 mg/kg
risk_code: 36/37/38-50-50/53-22-67-11
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N,Xn,F
safety_code: 26-61-60-37/39-36-16
hazard_class: 6.1(b)
Storage Class: 13 - Non Combustible Solids
packing_group: III
Hazard statements: H302-H315-H319-H400
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P270-P273-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

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 · 3 items

CIR ingredient: Laurtrimonium Chloride

Typical uses of category members include surfactants, intermediates, anti-scaling agents, fabric softeners, multifunctional laundry detergents, antistatic sprays, germicides, deodorizers, emulsifiers, hair-care products, industrial lubricants, and corrosion inhibitors; [EPA ChAMP: Initial Risk-Based Prioritization Document]

Using Disinfectants or Biocides [Category: Clean]

U.S. Production2023: 400,000 - <550,000 lb

Consumer UsesCorrosion inhibitor

Industry UsesCBI

Household ProductsInformation on 5 consumer products that contain Laurtrimonium Chloride in the following categories is provided:

Use ClassificationCosmetics -> Antistatic; Preservative; Emulsifying

Applications · 3 items

UsesDodecyltrimethylammonium Chloride is useful as a paint stripper, a foaming stabilizer, and a bactericidal lotion. It is used in coating, plastics, paints, rubber and ink production, as anti-static agent, catalyst.

UsesDodecyltrimethylammonium chloride belongs to quaternary ammonium salts,it is useful as paint strippers, foaming stabilizers, and bactericidal lotions.

General DescriptionDodecyltrimethylammonium chloride is a cationic alkyltrimethylammonium chloride surfactant that can undergo micellization in aqueous solution. it is mainly used for the denaturation of proteins.