1-Hexadecylpyridinium chloride hydrate (1:1:1)

Basic Information

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CAS Number

6004-24-6

Molecular Formula

C21H40ClNO

Molecular Weight

358 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

83-86 °C

Water Solubility

Soluble in water, alcohol, chloroform

Solubility

H2O: soluble0.5M, clear, colorless to faintly yellow

SMILES

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O.[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1

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

LogP

3.39510

Complexity

208

Safety Information

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GHS Hazard Pictograms

H301

H315

H318

H330

H335

H400

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.

Toxicity

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

Synonyms & References

English

1-Hexadecylpyridin-1-ium chloride hydrate
1-CETYLPYRIDINIUM CHLORIDE MONOHYDRATE
1-HEXADECYLPYRIDINIUM CHLORIDE MONOHYDRATE
1-N-HEXADECYLPYRIDINIUM CHLORIDE MONOHYDRATE
CETYLPYRIDINII CHLORIDUM
CETYLPYRIDINIUM CHLORIDE
CETYLPYRIDINIUM CHLORIDE H2O
CETYLPYRIDINIUM CHLORIDE MONOHYDRATE
CPC
CPC MONOHYDRATE
HEXADECYLPYRIDINIUM CHLORIDE MONOHYDRATE
N-CETYLPYRIDINIUM CHLORIDE MONOHYDRATE
N-HEXADECYLPYRIDINIUM CHLORIDE MONOHYDRATE
Cetylpyridiniumchloride,monoh
Pyridinium,1-hexadecyl-,chloride,monohydrate
cetyl pyridium chloride
Cetylpyridinum chloride
HEXADECYLPYRIDINIUM CHLORIDE MONO- HYDR&amp
amp
CETYLPYRIDINIUM CHLORIDE CRYSTALLINE
HEXADECYLPYRIDINIUM CHLORIDE MONOHYDRATE, PH EUR
(1-Hexadecyl)pyridinium chloride monohydrate
Cetylpyridinium (chloride monohydrate)
Ceepryn chloride
Ceetylpyridiniumchloride
Cepacol chloride
CetaMiuM
CETYL PYRIDIMUM CHLORIDE
Chlorohexadecyl pyridine
Dobendan
HexadecylpyridiniuM chloride

MDL Number

MFCD00149977

Customs Code

29333999

FAQ

What is 1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6)?

1-Hexadecylpyridinium chloride hydrate (1:1:1) is a quaternary ammonium compound with the CAS number 6004-24-6. It consists of a pyridinium ring substituted with a hexadecyl group and a chloride ion, along with one molecule of water of crystallization. This compound is commonly used as a surfactant and antimicrobial agent due to its cationic nature and ability to interact with cell membranes.

What are the main uses of 1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6)?

1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6) is primarily used in pharmaceuticals as a disinfectant and antiseptic, in the cosmetic industry for antimicrobial properties, and in research for its surfactant activity. It is also applied in industrial cleaning and as a preservative in various formulations due to its broad-spectrum antimicrobial effectiveness.

Is 1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6) safe?

1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6) is generally considered safe when used as directed, but it should be handled with care. It may cause skin and eye irritation, and proper protective equipment should be worn during handling. Safety standards recommend avoiding prolonged exposure and following guidelines for use in regulated environments to ensure safety.

How should 1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6) be stored?

1-Hexadecylpyridinium chloride hydrate (1:1:1) (CAS: 6004-24-6) should be stored in a cool, dry, and dark place, away from moisture and direct sunlight. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Avoid exposure to incompatible substances and ensure proper ventilation during storage to prevent degradation.