Cetylpyridinium chloride supplier

Name
Cetylpyridinium chloride
EINECS 204-593-9
CAS No. 123-03-5
Article Data18
CAS DataBase
Density 0.9362 (rough estimate)
Solubility insoluble in acetone, acetic acid, or ethanol
Melting Point 77 °C
Formula C₂₁H₃₈ClN
Boiling Point 496.25°C (rough estimate)
Molecular Weight 339.992
Flash Point
Transport Information
Appearance white powder or crystals
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms cetylpyridinium chloride anhydrous;Biosept;Cetyl-pyridinium chloride;Ceepryn Chloride;Cetamium;Swabettes Hoechst;Intexsan CPC;CPC;Aktivex;hexadecylpyridinium chloride;Pyridinium, 1-hexadecyl-, chloride;Tserigel;Dobendan;Cetafilm;Ammonyx CPC;Pyridinium,1-hexadecyl-,chloride;Ceprim;Pyrisept;Cepacol chloride;1-Hexadecyl-pyridinium;Newkalgen B 651P;Merocet;Merothol;Quaternario CPC;1-hexadecylpyridine chloride;Pristacin;1-cetylpyridinium chloride;Cepacol;Acetoquat CPC;N-hexadecylpyridinium chloride;N-cetylpyridinium chloride;1-palmitylpyridinium chloride;1-hexadecylpyridinium chloride;
PSA 3.88000
LogP 3.45940

Synthetic route

: 110-86-1
pyridine

: 4860-03-1
1-Chlorohexadecan

: 123-03-5
cetylpyridinium chloride

: 110-86-1
pyridine

: 112-82-3
hexadecanyl bromide

: 123-03-5
cetylpyridinium chloride

Conditions

Conditions	Yield
In water at 95 - 102℃; for 30h;	180 g

: 110-86-1
pyridine

: 58527-29-0
hexadecyl dichlorophosphinate

: 123-03-5
cetylpyridinium chloride

Conditions

Conditions	Yield
With 2-(Diethylamino)ethanol at 0 - 20℃; for 3h;

: 4-(4-Dimethylamino-phenylazo)-benzenesulfonate1-hexadecyl-pyridinium;

A: 123-03-5
cetylpyridinium chloride

B: 547-58-0
methyl orange

Conditions

Conditions	Yield
With sodium chloride at 19.9℃; Equilibrium constant; var. temps.;

: 123-03-5
cetylpyridinium chloride

: 127-56-0
sodium 4-aminobenzenesulfonylacetamide

: 934544-27-1
hexadecylpyridinium sulfacetamide

Conditions

Conditions	Yield
In water for 0.5h; Heating / reflux;	99.22%

: 123-03-5
cetylpyridinium chloride

: 113-98-4
Penicillin G potassium

: 934590-94-0
hexadecylpyridinium penicillin G

Conditions

Conditions	Yield
In water for 0.5h;	99%

: 66423-05-0
potassium (+)-(R)-2-(4-chloro-2-methylphenoxy)propionate

: 123-03-5
cetylpyridinium chloride

: 1354726-00-3
1-hexadecylpyridinium (+)-(R)-2-(4-chloro-2-methylphenoxy)propionate

Conditions

Conditions	Yield
In acetone at 19.84℃; for 1.5h;	99%

: 123-03-5
cetylpyridinium chloride

: 3006-15-3
sodium 1,4-dihexyl sulfosuccinate

: 934544-30-6
hexadecylpyridinium Cola wet MA-80

Conditions

Conditions	Yield
In water for 0.5h;	96.93%

: 87-88-7
3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone

: 123-03-5
cetylpyridinium chloride

: bis(hexadecylpyridinium) bis(3,6-dichloro-4,5-dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ(2)O(4),O(5))beryllium

Conditions

Conditions	Yield
With hydroxyberyllate complex In water C6H2Cl2O4 (stoich amt.) addn. to hydroxyberyllate complex (aq.) at 343 K, staying for 3 h at water-bath, filtering, addn. to pyridinium salt with strong agitation; washing, extn. (ethyl acetate), organic phase drying (Na2SO4), solvent evapn.;	95%

: 123-03-5
cetylpyridinium chloride

: 128-44-9
saccharin sodium salt

: 7428-34-4
hexadecylpyridinium saccharinate

Conditions

Conditions	Yield
In water at 60℃; for 1h;	95%

: sulfathiazole sodium

: 123-03-5
cetylpyridinium chloride

: sulfanilic acid thiazol-2-ylamide; 1-hexadecyl-pyridinium salt

Conditions

Conditions	Yield
In water at 20℃; for 1h;	77.22%

: 123-03-5
cetylpyridinium chloride

: 1069-66-5
sodium valproate

: 934544-54-4
hexadecylpyridinium valproic acid

Conditions

Conditions	Yield
In water at 20℃; for 1h;	77.14%

: 123-03-5
cetylpyridinium chloride

: 69-53-4
ampicillin

: (2S,5R,6R)-6-(R-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate cetylpyridinium

Conditions

Conditions	Yield
Stage #1: cetylpyridinium chloride With Amberlite IRA-400-OH In methanol Stage #2: ampicillin With ammonium In methanol at 20℃; for 1h;	76.4%

: 10466-65-6
potassium perrhenate

: 123-03-5
cetylpyridinium chloride

: 333-20-0
potassium thioacyanate

: 2CH3(CH2)15NC5H5(1+)*ReOCl(NCS)4(2-)=(CH3(CH2)15NC5H5)2ReOCl(NCS)4

Conditions

Conditions	Yield
With hydroquinone; HCl In acetic acid; butanone ketonic extract of H2ReOCl4 (prepared from KReO4, concd. HCl, hydroquinone), addn. of KSCN in acetone, green soln., mixed with acidified MgCl2 soln., shaken with butan-2-one, evapn. of ketone extract, dilution (acetic acid), mixed with the pyridinium; pptn., filtration, washing (acetic acid, then petroleum ether), recrystn. (acetone), elem. anal.;	75%

...Expand

: 123-03-5
cetylpyridinium chloride

: 10025-76-0
europium(III) chloride

: 120-46-7
1,3-diphenylpropanedione

: C5H5NC16H33(1+)*Eu(C15H11O2)4(1-)=C5H5NC16H33{Eu(C15H11O2)4}

Conditions

Conditions	Yield
With sodium hydroxide In ethanol recrystn. from 1:1 acetone/2-butanone;	74%
With NaOH In ethanol recrystn. from 1:1 acetone/2-butanone;	74%

...Expand

: 14878-26-3
potassium tetracarbonylcobaltate

: 123-03-5
cetylpyridinium chloride

: 957468-15-4
C16H33NC5H5(1+)*Co(CO)4(1-)=(C16H33NC5H5)(Co(CO)4)

Conditions

Conditions	Yield
In dichloromethane; water under Ar atm. aq. soln. KCo(CO)4 was added to aq. soln. pyridinium salt,CH2Cl2 was added, stirred for 20 min; org. phase was washed with water, dried over MgSO4, filtered, evapd. in vacuo, recrystn. fronm CH2Cl2-petroleum ether; elem. anal.;	74%

: 94-74-6
MCPA

: 123-03-5
cetylpyridinium chloride

: 1082249-15-7
1-hexadecylpyridinium (4-chloro-2-methylphenoxy)acetate

Conditions

Conditions	Yield
With potassium hydroxide In water at 39.84℃; for 24h;	74%

: phosphotungstic acid

: 123-03-5
cetylpyridinium chloride

: C21H38N(1+)*PW4O24(1-)

Conditions

Conditions	Yield
Stage #1: phosphotungstic acid With dihydrogen peroxide In water at 20℃; for 2h; Green chemistry; Stage #2: cetylpyridinium chloride In ethanol; water at 40℃; Green chemistry;	73.6%

: 123-03-5
cetylpyridinium chloride

: C21H38N(1+)*ClI2(1-)

Conditions

Conditions	Yield
With iodine In chloroform	70%

: hydroxygallium naphthalocyaninetetrasulfonic acid

: 123-03-5
cetylpyridinium chloride

: 4C21H38N(1+)*C48H21GaN8O13S4(4-)

Conditions

Conditions	Yield
In methanol; water Heating / reflux;	67%

: hydroxygallium naphthalocyaninetetrasulfonic acid

: 123-03-5
cetylpyridinium chloride

: C21H38N(1+)*C48H21GaN8O13S4(4-)

Conditions

Conditions	Yield
In methanol; water	67%

: 9Na(1+)*[ErW10O36](9-)=Na9[ErW10O36]

: 123-03-5
cetylpyridinium chloride

: 7[CH3(CH2)15NC5H5](1+)*2H(1+)*[ErW10O36](9-)=[CH3(CH2)15NC5H5]7H2[ErW10O36]

Conditions

Conditions	Yield
In water addn. of a soln. of cetylpyridinium chloride in water to a soln. of tungstate in water; filtration, washing with water, drying; cooling of soln., filtration, drying; elem. anal.;	64%

: 9Na(1+)*[SmW10O36](9-)*30H2O=Na9[SmW10O36]*30H2O

: 123-03-5
cetylpyridinium chloride

: 8[CH3(CH2)15NC5H5](1+)*H(1+)*[SmW10O36](9-)=[CH3(CH2)15NC5H5]8H[SmW10O36]

Conditions

Conditions	Yield
In water addn. of a soln. of cetylpyridinium chloride in water to a soln. of tungstate in water; filtration, washing with water, drying; cooling of soln., filtration, drying; elem. anal.;	63%

: 9Na(1+)*[YW10O36](9-)*20H2O=Na9[YW10O36]*20H2O

: 123-03-5
cetylpyridinium chloride

: 7[CH3(CH2)15NC5H5](1+)*2H(1+)*[YW10O36](9-)=[CH3(CH2)15NC5H5]7H2[YW10O36]

Conditions

Conditions	Yield
In water addn. of a soln. of cetylpyridinium chloride in water to a soln. of tungstate in water; filtration, washing with water, drying; cooling of soln., filtration, drying; elem. anal.;	63%

: 9Na(1+)*[DyW10O36](9-)=Na9[DyW10O36]

: 123-03-5
cetylpyridinium chloride

: 7[CH3(CH2)15NC5H5](1+)*2H(1+)*[DyW10O36](9-)=[CH3(CH2)15NC5H5]7H2[DyW10O36]

Conditions

Conditions	Yield
In water addn. of a soln. of cetylpyridinium chloride in water to a soln. of tungstate in water; filtration, washing with water, drying; cooling of soln., filtration, drying; elem. anal.;	63%

Cetylpyridinium chloride Consensus Reports

Reported in EPA TSCA Inventory.

Cetylpyridinium chloride Specification

The Cetylpyridinium chloride, with the CAS registry number 123-03-5,is also known as 5-(6-Amino-2-chloro-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol . It belongs to the product categories of Drugs & Medication. Its EINECS number is 204-593-9. This chemical's molecular formula is C21H38ClN and molecular weight is 339.99. What's more,Its systematic name is Cetylpyridinium chloride.It is a white powder or crystals with a pyridine-like odour which is stable, Combustible,and incompatible with strong oxidizing agents,strong bases. Cetylpyridinium chloride is an antiseptic which kills bacteria and other microorganisms. It has been shown to be effective in preventing dental plaque and reducing gingivitis. It is also used as an ingredient in certain pesticides.

Physical properties about Cetylpyridinium chloride are:
(1)ACD/LogP: 1.699; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.70; (5)ACD/BCF (pH 5.5): 11.52; (6)ACD/BCF (pH 7.4): 11.52; (7)ACD/KOC (pH 5.5): 200.21; (8)ACD/KOC (pH 7.4): 200.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15.

You can still convert the following datas into molecular structure:
(1)SMILES:[Cl-].[n+]1(ccccc1)CCCCCCCCCCCCCCCC;
(2)Std. InChI:InChI=1S/C21H38N.ClH/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/q+1;/p-1;
(3)Std. InChIKey:YMKDRGPMQRFJGP-UHFFFAOYSA-M.

The toxicity data of Cetylpyridinium chloride are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD	oral	> 500mg/kg (500mg/kg)		Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
dog	LD	oral	> 500mg/kg (500mg/kg)		Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
mouse	LD50	intraperitoneal	7mg/kg (7mg/kg)		Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
mouse	LD50	intravenous	10mg/kg (10mg/kg)		Journal of Biological Standardization. Vol. 1, Pg. 87, 1973.
mouse	LD50	oral	108mg/kg (108mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 120, Pg. 511, 1965.
rabbit	LD50	intravenous	36mg/kg (36mg/kg)		Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 208, 1966.
rabbit	LD50	oral	400mg/kg (400mg/kg)		Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 208, 1966.
rabbit	LD50	subcutaneous	300mg/kg (300mg/kg)		Drugs in Japan Vol. -, Pg. 544, 1990.
rabbit	LDLo	skin	2gm/kg (2000mg/kg)		Journal of Pharmaceutical Sciences. Vol. 59, Pg. 188, 1970.
rat	LC50	inhalation	90mg/m3/4H (90mg/m3)		Food and Chemical Toxicology. Vol. 29, Pg. 851, 1991.
rat	LC50	inhalation	90mg/m3/4H (90mg/m3)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE	Food and Chemical Toxicology. Vol. 29, Pg. 851, 1991.
rat	LD50	intraperitoneal	6mg/kg (6mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 89, 1946.
rat	LD50	oral	200mg/kg (200mg/kg)		Yakkyoku. Pharmacy. Vol. 31, Pg. 471, 1980.
rat	LD50	subcutaneous	250mg/kg (250mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 89, 1946.

Product Name

Cetylpyridinium chloride

Synthetic route

Cetylpyridinium chloride Consensus Reports

Cetylpyridinium chloride Specification

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