123-03-5
Product Name:
Cetylpyridinium chloride
Formula:
C21H38ClN
Synonyms:
1-Hexadecylpyridinium chloride;Cetylpyridinium chloride monohydrate;Hexadecylpyridinium chloride monohydrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Other Solid |
|---|---|
| Color/Form | White powder |
| Melting Point | 80 °C |
| Solubility | Very soluble in water, chloroform |
| LogP | log Kow= 1.71 |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/. |
| Refractive Index | INDEX OF REFRACTION (@ 20 °C): MONOCLINIC 1.509; TRICLINIC 1.566; ORTHORHOMBIC 1.613 |
| Collision Cross Section | 197.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | White powder; mp: 77-83 °C; freely sol in water, alcohol, chloroform; very slightly sol in benzene, ether; ph (1% aq soln): 6.0 to 7.0; surface tension (25 °C): 43 dyn/cm (0.1% aq soln), 41 dyn/cm (1.0% aq soln), 38 dyn/cm (10% aq soln) /Cetylpyridinium chloride monohydrate/ |
| Chemical Classes | Nitrogen Compounds -> Quaternary Amines |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H400:Hazardous to the aquatic environment, acute hazard H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 340.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 15 |
| Exact Mass | 339.2692779 g/mol |
| Monoisotopic Mass | 339.2692779 g/mol |
| Topological Polar Surface Area | 3.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 208 |
| 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 |
PRODUCT INTRODUCTION
description
Cetylpyridinium chloride is a pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. It has a role as an antiseptic drug and a surfactant. It is a chloride salt and an organic chloride salt. It contains a cetylpyridinium.