Cetylpyridinium chloride monohydrate Chemical Properties

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

InChIKey

NFCRBQADEGXVDL-UHFFFAOYSA-M

SMILES

C1=[N+](CCCCCCCCCCCCCCCC)C=CC=C1.[Cl-].[H]O[H]

LogP

1.699 (est)

CAS DataBase Reference

6004-24-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

T+,N,Xi

Risk Statements 

25-26-38-50/53-36/37/38

Safety Statements 

28-36/37-45-7/9-61-26-36

RIDADR 

UN 2811 6.1/PG 1

WGK Germany 

3

RTECS 

UU5075000

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

I

HS Code 

29333999

Toxicity

LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)

MSDS

• Language:English Provider:Cetylpyridinium chloride monohydrate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Cetylpyridinium chloride monohydrate Usage And Synthesis

Chemical Properties

white to light beige powder

Uses

antiinfective (topical)

Uses

Pharmaceutic aid (preservative).

Uses

(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.]

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