Grundinformationen
- CAS
1119-94-4- Standard-SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
XJWSAJYUBXQQDR-UHFFFAOYSA-M- Summenformel
- C15H34N.Br
- Durchschnittliche Molmasse
- 308,34 g/mol
Überblick
Dodecyltrimethylammonium bromide is a bromide salt and a quaternary ammonium salt. It has a role as a surfactant. It contains a dodecyltrimethylammonium ion.
Namen und Bezeichner
- Bevorzugter Name
- Dodecyltrimethylammonium bromide
- IUPAC
- dodecyl(trimethyl)azanium bromide
- Lokaler Name
- Dodecyltrimethylammoniumbromid
- Englischer Name
- Dodecyltrimethylammonium Bromide
- Summenformel
- C15H34BrN
- Molmasse
- 308.34
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1119-94-4- PubChem CID
- 14249
- DTXSID
DTXSID5044366- ChEMBL
CHEMBL109873- ChEBI
CHEBI:282662- UNII
- 6IC8NZ97S2
- EC Number
- 214-290-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 135
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 246 °C · 246 °C (dec.)(lit.)
- Dichte
- 1.1566 · 1.1566 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.526 · 1.5260 (estimate)
- Flammpunkt
- 246 °C · 246°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: 0.1 M at 20 °C, clear, colorless
- Aggregatzustand
- Powder
- Farbe
- White to slightly yellow
- Biologische Quelle
- synthetic (oragnic)
- Wasserlöslichkeit
- soluble
- BRN
- 3597463 · 3597463
- Major Application
- microbiology
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR CONDITIONINGPRESERVATIVE
- 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 Datenbank
- 1119 · 1119-94-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Dodecanaminium, N,N,N-trimethyl-, bromide (1119-94-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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
Gefahrenhinweise
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
Toxikologische Informationen
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
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN3077
- hs_code
- 29239000
- RTECS-Nr.
- BQ3195000
- risk_code
- 36/37/38-22-50/53
- Toxizität
- LD50 orally in Rabbit: 200 - 1000 mg/kg
- hazard_code
- Xi,Xn,N
- safety_code
- 26-36-37/39-61-60
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
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.
Verwendung und Herstellung
General Manufacturing Information
Paint and Coating Manufacturing
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
Anwendungen
VerwendenDodecyltrimethylammonium Bromide is a quaternary ammonium salt useful as paint strippers, foaming stabilizers, and bactericidal lotions.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.
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