Hexadecyltrimethylammoniumhydroxid

Cetrimonium Hydroxide

HCID 68166CAS 505-86-2

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]
InChIKey: WJLUBOLDZCQZEV-UHFFFAOYSA-M
Summenformel: C19H42N.HO
Durchschnittliche Molmasse: 301,6 g/mol
Monoisotopische Masse: 301,334465

Namen und Bezeichner

Bevorzugter Name: Cetrimonium Hydroxide
IUPAC: hexadecyl(trimethyl)azanium hydroxide
Lokaler Name: Hexadecyltrimethylammoniumhydroxid
Englischer Name: Hexadecyltrimethylammonium hydroxide
Summenformel: C19H43NO
Molmasse: 301.56

Namen und Synonyme

505-86-2Hexadecyltrimethylammonium hydroxideCetyltrimethylammonium Hydroxide1-Hexadecanaminium, N,N,N-trimethyl-, hydroxidecetrimonium hydroxide8Q7D6895LVtrimethylhexadecylammonium hydroxide1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide (1:1)DTXSID40883410AMMONIUM, HEXADECYLTRIMETHYL-, HYDROXIDERefChem:575371DTXCID101022941

Weitere Namen anzeigen

CTAOHnavtemadlin(25% in Methanol)Cetyltrimethylaminium·hydoxideCetyltrimethylammonium hydoxideCetyltrimethylammonium·hydoxidehexadecyl(trimethyl)azanium:hydroxide

208-022-4n,n,n-trimethylhexadecan-1-aminium hydroxideCetrimide [INN:BAN:JAN]MFCD00041921Hexadecyltrimethylammonium Hydroxide (10% in Water)n-hexadecyltrimethylammonium hydroxideSCHEMBL112145C19H43NO

Datenbank-Bezeichner

CAS: 505-86-2
PubChem CID: 68166
DTXSID: DTXSID40883410
UNII: 8Q7D6895LV
EC Number: 208-022-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 15
Schwere Atome: 21
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Dichte: 0.988 g/mL · 0.988 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.372
Flammpunkt: 11 °C · 11 °C
storage temp.: 2 · 2-8°C
Wasserlöslichkeit: Soluble in water
Aggregatzustand: Solution
Farbe: Clear colorless to pale yellow
BRN: 3723055 · 3723055
InChI: 1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1
InChIKey: WJLUBOLDZCQZEV-UHFFFAOYSA-M
SMILES: [OH-].CCCCCCCCCCCCCCCC[N+](C)(C)C
CAS Datenbank: 505 · 505-86-2(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide (505-86-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P270, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide

1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide: 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

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Sicherheitsdaten

F: 10-34
wgk: 1
tsca: TSCA listed
ridadr: UN 3286 3/PG 2
hs_code: 29239000
risk_code: 34-39/23/24/25-23/24/25-11
hazard_code: C,T,F
safety_code: 7-16-26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

Verwendung und Herstellung

UsesUse (kg; approx.) in Germany (2009): >100

General Manufacturing Information1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenHexadecyltrimethylammonium hydroxide solution is a surfactant used in:Synthesis of microporous and mesoporous aluminosilicate molecular sieves such as MCM-41 and MCM-48.Hydrothermal preparation of manganese dioxide (MnO2) nanoflower.Synthesis of cetyltrimethylammonium hydroperoxide, a reagent used for promoting phosphate ester hydrolysis.