Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M- Summenformel
- C17H38N.Br
- Durchschnittliche Molmasse
- 336,4 g/mol
- Monoisotopische Masse
- 335,21876232
Überblick
Cetrimide is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Tetradecyltrimethylammonium bromide
- IUPAC
- trimethyl(tetradecyl)azanium bromide
- Lokaler Name
- Tetradoniumbromid
- Englischer Name
- Tetradecyltrimethylammonium bromide
- Summenformel
- C17H38N.Br
- Molmasse
- 336.39
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1119-97-7- PubChem CID
- 14250
- DTXSID
DTXSID0044367- ChEBI
CHEBI:3565- UNII
- 8483H94W1E
- EC Number
- 214-291-9
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 157
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Myrtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Preservative
Physikochemische Eigenschaften
- Schmelzpunkt
- 245 · 245-250 °C(lit.)
- Dichte
- 1.1328 · 1.1328 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.526 · 1.5260 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 mg/ml · DMF: 2 mg/ml DMSO: 16 mg/ml Ethanol: 33 mg/ml PBS (pH 7.2): 5 mg/ml
- Aggregatzustand
- Fine Crystalline Powder
- Farbe
- White
- PH
- 50 g/l, · pH (50g/l, 25℃ : 4.0~6.0
- Wasserlöslichkeit
- 2 O:10% · H2O:10%(w/v) 20 g/100 mL
- Merck
- 14 · 14,6336
- BRN
- 3633227 · 3633227
- Stabilität
- Stable. Hygroscopic. Incompatible with strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- PRESERVATIVE
- InChI
- 1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
- InChIKey
- CXRFDZFCGOPDTD-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCCCCCC[N+](C)(C)C
- LogP
- 2.2 at · 2.2 at 20℃
- CAS Datenbank
- 1119 · 1119-97-7(CAS DataBase Reference)
- EPA chemische Informationen
- Tetradecyl trimethyl ammonium bromide (1119-97-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (3 of 698) of reports.
Danger
H302 (25.4%): 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+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 698 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Tetradecanaminium, N,N,N-trimethyl-, bromide
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10710
Tetradecyltrimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and convulsions in intraperitoneal lethal-dose studies of mice; Causes somnolence and dyspnea in oral lethal-dose studies of rats; [RTECS] Corrosive; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
77 [mg/m3]
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...Myrtrimonium Bromide...
Safe for use in cosmetics, with qualifications
Sicherheitsdaten
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29239000
- RTECS-Nr.
- BS5776000
- risk_code
- 34
- Toxizität
- LD50 in mice, rats (mg/kg): 12.0, 15.0 i.v. (Issomaa, Bjondahl)
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT RE 2 OralSTOT SE 3
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
Uses
CIR ingredient: Myrtrimonium Bromide
Used as a disinfectant, deodorant, and laboratory reagent; [Merck Index] Formerly registered in the US as a disinfectant and carpet cleaner for institutional, hospital, restaurant, and related applications; [NPIRS]
Using Disinfectants or Biocides [Category: Clean]
Anwendungen
VerwendenDisinfectant; deodorant; laboratory reagent.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionMyristyltrimethylammonium bromide is an organic molecular entity.
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