Dodecyltrimethylammonium bromide

HCID 14249

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

Dodecyltrimethylammonium bromide1119-94-4DctabDTABLaurtrimonium bromideLTABLauryltrimethylammonium bromideMorpan DDTAB (surfactant)1-Dodecanaminium, N,N,N-trimethyl-, bromideTrimethyllaurylammonium bromideTrimethyldodecylammonium bromide
Show more names
1231N,N,N-TRIMETHYL-1-DODECANAMINIUM BROMIDE1232CetrimideSubstituteDodecayltrimethylaminiumbromide123B
FSM 23N-Lauryl-N,N,N-trimethylammonium bromideN,N,N-Trimethyldodecan-1-ammonium bromideDTXSID5044366N,N,N-Trimethyl-1-dodecanaminiuim bromideLauryltrimethylaminium bromide6IC8NZ97S2DTXCID3024366

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

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics · 2 items

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

Hair conditioning; Antistatic; Preservative

Physical Description · 2 items

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.

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 4 items

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.

Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Hazards Summary · 1 item

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 · 3 items

Acute Tox. 3 (20.2%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 3

Toxicology

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 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

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

UsesCIR ingredient: Laurtrimonium Bromide
U.S. Production2023: <50,000 lb
Industry UsesDefoamer
Use ClassificationCosmetics -> Hair conditioning; Antistatic; Preservative
General Manufacturing Information · 2 items

Paint and Coating Manufacturing

1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE

Applications · 4 items

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

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.

Related reactions

2 records

Compound notes

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