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123-03-5

123-03-5 structure
123-03-5 structure
  • Name: cetylpyridinium chloride
  • Chemical Name: cetylpyridinium chloride
  • CAS Number: 123-03-5
  • Molecular Formula: C21H38ClN
  • Molecular Weight: 339.986
  • Catalog: API Synthetic anti-infective drugs Disinfectant antiseptic
  • Create Date: 2018-06-15 13:13:41
  • Modify Date: 2024-01-02 12:36:37
  • Cetylpyridinium chloride, a cationic quaternary ammonium compound, is an anti-bacterial agent with broad-spectrum activity. Cetylpyridinium chloride is an effective anti-HBV capsid assembly inhibitor with an IC50 of 2.5 μM. Cetylpyridinium chloride is used in pesticides and various types of mouthwashes, and other personal care products[1][2].

Name cetylpyridinium chloride
Synonyms Pyrisept
1-HEXADECYL-PYRIDINIUM,CHLORIDE
Pristacin
MFCD00011731
EINECS 204-593-9
Cetafilm
Medilave
Pyridinium, 1-hexadecyl-, chloride (1:1)
cetylpyridinium chloride
Aktivex
cpc
Ceepryn chloride
Pionin B 651P
1-hexadecylpyridinum chloride
Cetamium
Ceepryn
Biosept
N-hexadecylpyridinium chloride
Cetyl-pyridinium chloride
Merothol
Merocet
Dobendan
hexadecylpyridinium chloride
1-Hexadecylpyridinium chloride
Cloruro di cetilpiridinio
tserigel
Ipanol
1-hexadecylpyridin-1-ium,chloride
Newkalgen B 651P
N-cetyl-pyridinium chloride
Description Cetylpyridinium chloride, a cationic quaternary ammonium compound, is an anti-bacterial agent with broad-spectrum activity. Cetylpyridinium chloride is an effective anti-HBV capsid assembly inhibitor with an IC50 of 2.5 μM. Cetylpyridinium chloride is used in pesticides and various types of mouthwashes, and other personal care products[1][2].
Related Catalog
Target

IC50: 2.5 μM (HBV capsid assembly)[1]

In Vitro Cetylpyridinium chloride interacts with dimeric viral nucleocapsid protein (known as core protein or HBcAg) specifically. Compared with other HBV inhibitors, Cetylpyridinium chloride achieves significantly better reduction of HBV particle number in HepG2.2.15 cell line. Cetylpyridinium chloride inhibits capsid assembly and leads to reduced HBV biogenesis[1]. Cetylpyridinium chloride is a safe antimicrobial agent with broad-spectrum activity for preventing biofilm formation and gingivitis[2].
In Vivo Cetylpyridinium chloride (30 μg/kg; intramuscular injection; daily; for 3 days; male C57BL/6 mice) treatment inhibits HBV replication in mouse hydrodynamic model system[1]. Animal Model: Male C57BL/6 mice (6-week old) injected with the plasmid [1] Dosage: 272 μg/kg/day Administration: Intramuscular injection; daily; for 3 days Result: Suppressed serum HBV DNA levels, decreased by 60% in day2 and 45% in day3 compared to the control.
References

[1]. Hyun Wook Seo, et al. Cetylpyridinium chloride interaction with the hepatitis B virus core protein inhibits capsid assembly. Virus Res. 2019 Apr 2;263:102-111.

[2]. Hiroto Imai, et al. Cetylpyridinium chloride at sublethal levels increases the susceptibility of rat thymic lymphocytes to oxidative stress. Chemosphere. 2017 Mar;170:118-123.

Melting Point 77°C
Molecular Formula C21H38ClN
Molecular Weight 339.986
Exact Mass 339.269287
PSA 3.88000
LogP 3.45940
Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Name: Cetylpyridinium chloride Material Safety Data Sheet
Synonym: 1-Hexadecylpyridinium chloride; CPC
CAS: 123-03-5
Section 1 - Chemical Product MSDS Name:Cetylpyridinium chloride Material Safety Data Sheet
Synonym:1-Hexadecylpyridinium chloride; CPC

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
123-03-5 Pyridinium, 1-hexadecyl-, chloride >95 204-593-9
Hazard Symbols: T+ N
Risk Phrases: 25 26 36/37/38 50/53

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic if swallowed. Very toxic by inhalation. Irritating to eyes, respiratory system and skin. Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May be fatal if inhaled. Dust is irritating to the respiratory tract.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water.
Remove contaminated clothing and shoes. Get medical aid. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
POISON material. If inhaled, get medical aid immediately. Remove victim to fresh air. If not breathing, give artificial respiration.
If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Evacuate unnecessary personnel. Approach spill from upwind.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not breathe dust. Do not breathe spray or mist. Use only with adequate ventilation or respiratory protection.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 123-03-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: characteristic odor
pH: 5.2 (10g/l H2O)
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 234 deg C
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C21H38ClN
Molecular Weight: 339.98

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 123-03-5: UU4900000 LD50/LC50:
CAS# 123-03-5: Draize test, rabbit, eye: 1%; Draize test, rabbit, eye: 100 mg; Draize test, rabbit, skin: 50 mg/24H Moderate; Inhalation, rat: LC50 = 90 mg/m3/4H; Oral, mouse: LD50 = 108 mg/kg; Oral, rabbit: LD50 = 400 mg/kg; Oral, rat: LD50 = 200 mg/kg.
Sensitization test (guinea pig): negative.
Carcinogenicity:
Pyridinium, 1-hexadecyl-, chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Carp: 0.01 mg/l; 96 h; LC50

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Toxic Solid, Organic, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
IMO
Shipping Name: Toxic Solid, Organic, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
RID/ADR
Shipping Name: Toxic Solid, Organic, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: I

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+ N
Risk Phrases:
R 25 Toxic if swallowed.
R 26 Very toxic by inhalation.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 50/53 Very toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 123-03-5: 3
Canada
CAS# 123-03-5 is listed on Canada's DSL List.
CAS# 123-03-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 123-03-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU4900000
CHEMICAL NAME :
Pyridinium, 1-hexadecyl-, chloride
CAS REGISTRY NUMBER :
123-03-5
LAST UPDATED :
199710
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C21-H38-N.Cl
MOLECULAR WEIGHT :
340.05
WISWESSER LINE NOTATION :
T6KJ A16 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
33NFA8 "Animal Models in Dermatology: Relevance to Human Dermatopharmacology and Dermatotoxicology," Maibach, H., ed., New York, Churchill Livingston, 1975 Volume(issue)/page/year: -,2,1975
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,137,1968
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 31,471,1980
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
90 mg/m3/4H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - chromodacryorrhea Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 29,851,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,89,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,89,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
108 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,511,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JBSTBI Journal of Biological Standardization. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1973- Volume(issue)/page/year: 1,87,1973
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,208,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,544,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,208,1966 *** REVIEWS *** TOXICOLOGY REVIEW ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 32,245,1974 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84321 No. of Facilities: 113 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2878 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84321 No. of Facilities: 999 (estimated) No. of Industries: 4 No. of Occupations: 13 No. of Employees: 132865 (estimated) No. of Female Employees: 118474 (estimated)
Hazard Codes T+
RIDADR 2811
Packaging Group III
Hazard Class 6.1(b)
HS Code 2933399090

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123-03-5 structure

123-03-5

Literature: Journal of the Chemical Society, , p. 682 Helvetica Chimica Acta, , vol. 21, p. 223,230

~%

123-03-5 structure

123-03-5

Literature: Synlett, , # 12 p. 1687 - 1692
HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%