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HomeProduct name listCetylpyridinium chloride monohydrate

Cetylpyridinium chloride monohydrate

Synonym(s):Cetylpyridinium chloride monohydrate;Hexadecylpyridinium chloride monohydrate;1-Cetylpyridinium chloride monohydrate;1-Hexadecylpyridinium chloride;Cetylpyridinii chloridum

  • CAS NO.:6004-24-6
  • Empirical Formula: C21H40ClNO
  • Molecular Weight: 358
  • MDL number: MFCD00149977
  • EINECS: 678-154-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-18 17:43:10
Cetylpyridinium chloride monohydrate Structural

What is Cetylpyridinium chloride monohydrate?

Chemical properties

white to light beige powder

The Uses of Cetylpyridinium chloride monohydrate

Pharmaceutic aid (preservative).

The Uses of Cetylpyridinium chloride monohydrate

(1-Hexadecyl)pyridinium chloride monohydrate is used in a study to assess removal of emulsified oil from oily waste water and removal of emulsified food and mineral oils from waste water. And it is used for detergent-based extraction of membrane-associated enzymes such as alkaline phosphatase, and in extraction of chromium and palladium.

Definition

ChEBI: Cetylpyridinium chloride monohydrate is a hydrate. It contains a cetylpyridinium chloride.

General Description

Cetylpyridinum chloride is a quaternary ammonium compound and an active ingredient of antiseptic oral mouth rinses with broad spectrum antimicrobial activity. Its mode of action involves a rapid bactericidal effect on Gram-positive pathogens and a fungicide effect on certain yeasts.
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

Purification Methods

Crystallise the chloride from MeOH or EtOH/diethyl ether and dry it in vacuo. [Moss et al. J Am Chem Soc 108 788 1986, Lennox & McClelland J Am Chem Soc 108 3771 1986, Beilstein 20 V 233.]

Properties of Cetylpyridinium chloride monohydrate

Melting point: 81-84 °C
storage temp.  Store below +30°C.
solubility  H2O: soluble0.5M, clear, colorless to faintly yellow
form  Powder
color  White
PH 5.0-5.4 (10g/l, H2O, 20℃)
Water Solubility  Soluble in water, alcohol, chloroform
Merck  14,2032
BRN  3578606
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.
InChI InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
CAS DataBase Reference 6004-24-6(CAS DataBase Reference)

Safety information for Cetylpyridinium chloride monohydrate

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318: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
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Cetylpyridinium chloride monohydrate

InChIKey NFCRBQADEGXVDL-UHFFFAOYSA-M
SMILES C1=[N+](CCCCCCCCCCCCCCCC)C=CC=C1.[Cl-].[H]O[H]

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