Hexadecyltrimethylammonium chloride
Product Information
Molecular Formula
C19H42ClN
Molecular Weight
320.0
Description
Cetrimonium chloride, or cetyltrimethylammonium chloride (CTAC), is a topical antiseptic and surfactant. It is also commonly used in hair conditioners and shampoos, as a conditioning agent.
Synonyms
Cetyltrimethylammonium Chloride||||HTAC||||CTAC
IUPAC Name
hexadecyl(trimethyl)azaniumchloride
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H31H/q+1/p-1
InChI Key
WOWHHFRSBJGXCM-UHFFFAOYSA-M
Boiling Point
180 °F at 760 mmHg (isopropyl alcohol)
Melting Point
234 °C
Flash Point
69 °F
Purity
>95.0%(T)
Density
0.968 g/mL at 25 °C
Solubility
Water solubility: 440 mg/l at 30 °C
Appearance
White to Almost white powder to crystal
Application
Available as a 25% aqueous solution and 50% solution in isopropyl alcohol and water for use in antifungal formulations and hair conditioners; Also used as a disinfectant/germicide, cationic detergent, fermentation aid, dispersant, coagulant for antibiotic production, and antistatic and softening agent for textile finishes.
Storage
Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
Refractive Index
n20/D 1.3778
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
LogP
3.17790
Decomposition
When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides.
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P391:
Collect spillage.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P391:
Collect spillage.
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
15
Exact Mass
319.3005780 g/mol
Monoisotopic Mass
319.3005780 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
181
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114105421-A | Efficient purification reinjection treatment system and treatment method for complex wastewater in oil field | 2022-01-27 |
| CN-114058360-A | Multifunctional suspension concentrated fracturing fluid and preparation method thereof | 2022-01-17 |
| CN-114163643-A | Porous silicon resin and light flexible flame-retardant composite material | 2022-01-05 |
| CN-113996307-A | Catalyst carrier for preparing high-energy density fuel, preparation method and application | 2022-01-04 |
| CN-114182318-A | TiAl porous alloy with oxide film and preparation method and application thereof | 2021-12-31 |
| CN-114085563-A | Green environment-friendly capsule release type antifouling paint and preparation method thereof | 2021-12-28 |
| CN-114145293-A | Composite disinfectant containing natural plant extracts and preparation method thereof | 2021-12-23 |
| CN-114182545-A | Cationic pigment ink and preparation method and application thereof | 2021-12-22 |
| CN-114010566-A | Hair conditioner with hair growth function and preparation method thereof | 2021-12-21 |
| CN-114058210-A | Water-based photo-curing ink composition, and preparation method and application thereof | 2021-12-21 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23792315 | 2013-08-01 | Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride | European journal of medicinal chemistry |
| 23062962 | 2013-01-01 | Selective nanodecoration of modified cyclodextrin crystals with gold nanorods | Journal of colloid and interface science |
| 23022612 | 2012-12-01 | Optical detection of NADH based on biocatalytic growth of Au-Ag core-shell nanoparticles | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 23079128 | 2012-12-01 | Control filamentous bulking caused by chlorine-resistant Type 021N bacteria through adding a biocide CTAB | Water research |
| 23109107 | 2012-12-01 | How to control the recombinant prion protein adhesion for successful storage through modification of surface properties | Biointerphases |
| 22977883 | 2012-11-07 | Gold nanorods as surface enhanced Raman spectroscopy substrates for sensitive and selective detection of ultra-low levels of dithiocarbamate pesticides | The Analyst |
| 23003680 | 2012-11-05 | Interactions of microbicide nanoparticles with a simulated vaginal fluid | Molecular pharmaceutics |
| 22552877 | 2012-11-01 | An improved CTAB-ammonium acetate method for total RNA isolation from cotton | Phytochemical analysis : PCA |
| 23065669 | 2012-11-01 | Post separation adjustment of pH to enable the analysis of aminoglycoside antibiotics by microchip electrophoresis with amperometric detection | Electrophoresis |
| 23066757 | 2012-10-25 | In situ study of dynamic conformational transitions of a water-soluble poly(3-hexylthiophene) derivative by surfactant complexation | The journal of physical chemistry. B |
