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Cetylpyridinium chloride monohydrate

Cetylpyridinium chloride monohydrate structure

CAS No:
6004-24-6
Formula:
C21H38N.Cl.H2O
Chemical Name:
Cetylpyridinium chloride monohydrate
Synonyms:
Pyridinium,1-hexadecyl-,chloride,hydrate (1:1:1);Pyridinium,1-hexadecyl-,chloride,monohydrate;Cetylpyridinium chloride monohydrate;N-Hexadecylpyridinium chloride monohydrate;N-Cetylpyridinium chloride monohydrate
Categories:
Cosmetic Ingredient > Antistatic

Description

Cetylpyridinium chloride monohydrate is a cationic quaternary ammonium compound, used in some types of mouthwashes, toothpastes, throat and nasal sprays, is an antiseptic that kills bacteria and other microorganisms, effective in preventing dental plaque and reducing gingivitis.

Cetylpyridinium chloride monohydrate is a hydrate. It contains a cetylpyridinium chloride.|Cetylpyridinium Chloride is the chloride salt form of cetylpyridinium, a quaternary ammonium with broad-spectrum antimicrobial activity. Upon topical administration, cetylpyridinium chloride is positively charged and reacts with the negatively charged microbial cell surfaces, thereby destroying the integrity of the cell membrane. This causes leakage of intracellular components leading to microbial cell death.

Cetylpyridinium chloride monohydrate Basic Attributes

Molecular Weight：

358

Exact Mass：

357.279846

BRN：

3578606

EC Number：

204-593-9

UNII：

D9OM4SK49P

NCI Thesaurus Code：

C77035

HScode：

29333999

Characteristics

PSA：

4.9

XLogP3：

3.39510

Appearance：

White Powder

Melting Point：

77-78 °C

Water Solubility：

soluble in water, alcohol, chloroformH2O: soluble 0.5M, clear, colorless to faintly yellow

Storage Conditions：

Store at RT.

Toxicity：

Celiac-rat LD50: 15 mg/kg; Abdominal cavity-mouse LD50: 3 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic nitrogen oxides and chloride fumes

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

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

safety instructions：

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

RTECS Number：

UU5075000

Marks：

T+,N,Xi

Storage features：

The warehouse is low-temperature, ventilated and dry; stored separately from food materials

Stability/Shelf Life：

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

Precautionary statement(s)：

P260-P304 + P340 + P310-P305 + P351 + P338-P403 + P233

Hazard Statements：

H301-H315-H319-H330-H335-H410

GHS Classification：

|Danger|H301 (98.94%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 94 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Cetylpyridinium chloride monohydrate Use and Manufacturing

Pharmaceutic aid (preservative).

Computed Properties

Molecular Weight:358.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:15
Exact Mass:357.2798426
Monoisotopic Mass:357.2798426
Topological Polar Surface Area:4.9
Heavy Atom Count:24
Complexity:208
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of Cetylpyridinium chloride monohydrate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
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