Basic information
- CAS
1119-94-4- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
XJWSAJYUBXQQDR-UHFFFAOYSA-M- Molecular formula
- C15H34N.Br
- Average molar mass
- 308.34 g/mol
Overview
Dodecyltrimethylammonium bromide is a bromide salt and a quaternary ammonium salt. It has a role as a surfactant. It contains a dodecyltrimethylammonium ion.
Names & identifiers
- Preferred name
- Dodecyltrimethylammonium bromide
- IUPAC
- dodecyl(trimethyl)azanium bromide
- English name
- Dodecyltrimethylammonium Bromide
- Molecular formula
- C15H34BrN
- Molecular weight
- 308.34
Names & synonyms
Show more names
Database identifiers
- CAS
1119-94-4- PubChem CID
- 14249
- DTXSID
DTXSID5044366- ChEMBL
CHEMBL109873- ChEBI
CHEBI:282662- UNII
- 6IC8NZ97S2
- EC Number
- 214-290-3
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Laurtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Antistatic; Preservative
Physical Description
Dry Powder
White to light yellow odorless powder; Hygroscopic; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 246 °C · 246 °C (dec.)(lit.)
- Density
- 1.1566 · 1.1566 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 1.526 · 1.5260 (estimate)
- Flash point
- 246 °C · 246°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: 0.1 M at 20 °C, clear, colorless
- form
- Powder
- color
- White to slightly yellow
- biological source
- synthetic (oragnic)
- Water Solubility
- soluble
- Sensitive
- Hygroscopic
- λmax
- 240 nm · λ: 240 nm Amax: ≤0.2λ: 250 nm Amax: ≤0.03λ: 260 nm Amax: ≤0.02λ: 500 nm Amax: ≤0.02
- BRN
- 3597463 · 3597463
- Major Application
- microbiology
- Cosmetics Ingredients Functions
- HAIR CONDITIONINGPRESERVATIVE
- Cosmetic Ingredient Review (CIR)
- Dodecyltrimethylammonium Bromide (1119-94-4)
- InChI
- 1S/C15H34N.BrH/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
- XJWSAJYUBXQQDR-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCCCC[N+](C)(C)C
- CAS DataBase Reference
- 1119 · 1119-94-4(CAS DataBase Reference)
- EWG's Food Scores
- 4 · 4
- FDA UNII
- 6 IC8NZ97S2 · 6IC8NZ97S2
- EPA Substance Registry System
- 1 · 1-Dodecanaminium, N,N,N-trimethyl-, bromide (1119-94-4)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H410
- Precautionary statements
- 273 · P273-P301+P310+P330-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,Xn,N
- Risk Statements
- 36 · 36/37/38-22-50/53
- Safety Statements
- 26 · 26-36-37/39-61-60
- RIDADR
- 3077 · UN3077
- WGK Germany
- 3 · 3
- RTECS
- 3195000 · BQ3195000
- F
- 3 · 3-10
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29239000 · 29239000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAquatic · Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 200 - 1000 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (2 of 89) of reports.
Danger
H301 (20.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 1-Dodecanaminium, N,N,N-trimethyl-, bromide
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N,N,N-trimethyl-, bromide (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)
REACH registered substance: Dodecyltrimethylammonium bromide (EC: 214-290-3)
1-Dodecanaminium, N,N,N-trimethyl-, bromide: 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.
Hazards Summary
Causes somnolence and dermatitis in dermal lethal-dose studies of rabbits; Causes other changes in lungs, thorax, or respiration in intravenous lethal-dose studies of mice and rats; [RTECS] Oral LD50 (rat) = 200-1,000 mg/kg; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS]
Hazard Classes and Categories
Acute Tox. 3 (20.2%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 3
Toxicology
Toxicity Summary
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 Bromide...
Safe for use in cosmetics, with qualifications
Safety data
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BQ3195000
- ridadr
- UN3077
- hs_code
- 29239000
- Toxicity
- LD50 orally in Rabbit: 200 - 1000 mg/kg
- risk_code
- 36/37/38-22-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- Xi,Xn,N
- safety_code
- 26-36-37/39-61-60
- hazard_class
- 9
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H315-H319-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P273-P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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
General Manufacturing Information
Paint and Coating Manufacturing
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
Applications
Uses(1-Dodecyl)trimethylammonium bromide is used as a surfactant, as an emulsifier of rubber and asphalt and as an anti-static agent of synthetic fiber. It acts as an ionic surfactant and useful in the preparation of gold nanopartilces along with sodium dodecylsulfate. It is also used as paint strippers and foaming stabilizers. It is used to prepare dodecyltrimethylammonium bromide. By using conductimetry, density measurements, and small angle neutron scattering, it is used to study the micelle formation in water-dimethylsulfoxide mixture. Further, it is a useful biochemical for proteomics research.
UsesDodecyltrimethylammonium Bromide is a quaternary ammonium salt useful as paint strippers, foaming stabilizers, and bactericidal lotions.
UsesDodecyltrimethylammonium bromide has been used in a study to assess the distribution of binary mixed counterions in surfactant adsorbed films. It has also been used in a study to investigate chain length compatibility of surfactants for extraction of organophosphorous pesticides.
General DescriptionDodecyltrimethylammonium bromide is a quaternary ammonium surfactant.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Additional notes
DefinitionChEBI: A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.
Related reactions
Compound notes
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