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Dodecyltrimethylammoniumchloride

Dodecyltrimethylammonium chloride

HCID 8152
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Grundinformationen

CAS
112-00-5
Standard-SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIKey
DDXLVDQZPFLQMZ-UHFFFAOYSA-M
Summenformel
C15H34N.Cl
Durchschnittliche Molmasse
263,89 g/mol

Überblick

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...

Namen und Bezeichner

Bevorzugter Name
Dodecyltrimethylammonium chloride
IUPAC
dodecyl(trimethyl)azanium chloride
Lokaler Name
Dodecyltrimethylammoniumchloride
Englischer Name
Dodecyltrimethylammonium chloride
Summenformel
C15H34ClN
Molmasse
263.89

Namen und Synonyme

Dodecyltrimethylammonium chloride112-00-5DODECYL TRIMETHYL AMMONIUM CHLORIDEDTACAlicopLauryltrimethylammonium chlorideLaurtrimonium chlorideCation BBAliquat 4Dehyquart LTCation FBNissan Cation BB
Weitere Namen anzeigen
LTACTRIMETHYLDODECYLAMMONIUM CHLORIDEN,N,N-Trimethyl-1-dodecanaminium chloride123Caliguat4arguad12
n-Dodecyltrimethylammonium chlorideArquad 12Arquad 12DTrimethyllaurylammonium chlorideCatiogen LNissan Cation FBQuartamin 24PQuartamin 24W

Datenbank-Bezeichner

CAS
112-00-5
PubChem CID
8152
DTXSID
DTXSID1026900
ChEMBL
CHEMBL1884887
UNII
A81MSI0FIC

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

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

Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics · 2 Einträge

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

Antistatic; Preservative; Emulsifying

Vapor Pressure0.00000001 [mmHg]
Physical Description · 2 Einträge

CBI; Liquid

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

Physikochemische Eigenschaften

Schmelzpunkt
37 °C · 37 °C
Siedepunkt
412.12 °C · 412.12°C (rough estimate)
Dichte
0.9265 · 0.9265 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
20 · n20/D 1.426
Flammpunkt
19 °C · 19 °C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Gefahrenhinweise

Regulatory Information · 4 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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 · 3 Einträge

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
General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

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

Zugehörige Reaktionen

9
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 5288
HRID 5288als Katalysatoruspto-grants-1993_09
Reaktionsgleichung von HRID 1089585
HRID 1089585als Katalysatoruspto-grants-1990_10
Reaktionsgleichung von HRID 1576943
HRID 1576943als Katalysatoruspto-grants-1976_09
Reaktionsgleichung von HRID 1589289
HRID 1589289als Katalysatoruspto-grants-1986_02
Reaktionsgleichung von HRID 1589290
HRID 1589290als Katalysatoruspto-grants-1986_02
Reaktionsgleichung von HRID 1700049
HRID 1700049als Katalysatoruspto-grants-2002_02
Reaktionsgleichung von HRID 1981680
HRID 1981680als Katalysatoruspto-grants-1986_06
Reaktionsgleichung von HRID 1981684
HRID 1981684als Katalysatoruspto-grants-1986_06
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EC Number
203-927-0
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
2 O: · H2O: 50 mg/mL, clear, colorless
Aggregatzustand
Powder or Chunks
Farbe
White to light yellow
PH
4 to · 4.0 to 7.5(50 g/L, 25 ℃)
Wasserlöslichkeit
Soluble
BRN
3915951 · 3915951
Stabilität
Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Kosmetik-Inhaltsstoffe Funktionen
PRESERVATIVESURFACTANT - EMULSIFYINGANTISTATIC
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℃
Oberflächenspannung
860 · 860-1710mN/m at 52.78-105.56g/L and 25℃
CAS Datenbank
112 · 112-00-5(CAS DataBase Reference)
EPA chemische Informationen
Dodecyl trimethyl ammonium chloride (112-00-5)
· 4 Einträge

Acute Tox. 4 (87.2%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Hazardous to the aquatic environment (Acute) - Category 1

Toxikologische Informationen

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 Einträge

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

Sicherheitsdaten

F
3-10
wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
29239000
RTECS-Nr.
JR2122500
risk_code
36/37/38-50-50/53-22-67-11
Toxizität
LD50 orally in Rabbit: 200 - 1000 mg/kg
hazard_code
Xi,N,Xn,F
safety_code
26-61-60-37/39-36-16
hazard_class
6.1(b)
packing_group
III
Speicherklasse
13 - Non Combustible Solids
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2

Anwendungen

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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

N,N-Dimethyl-1-dodecanamin