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6004-24-6

6004-24-6 Structure

6004-24-6 Structure
IdentificationMore
[Name]

Cetylpyridinium chloride monohydrate
[CAS]

6004-24-6
[Synonyms]

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
CETYLPYRIDINIUM CHLORIDE SIGMAULTRA
HEXADECYLPYRIDINIUM CHLORIDE MONO-HYDR&
CETYLPYRIDINIUM CHLORIDE CRYSTALLINE
HEXADECYLPYRIDINIUM CHLORIDE MONOHYDRATE, PH EUR
[EINECS(EC#)]

204-593-9
[Molecular Formula]

C21H40ClNO
[MDL Number]

MFCD00149977
[Molecular Weight]

358
[MOL File]

6004-24-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light beige powder
[Melting point ]

81-84 °C
[bulk density]

370kg/m3
[storage temp. ]

Store at RT.
[solubility ]

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

Powder
[color ]

White
[PH]

5.0-5.4 (10g/l, H2O, 20℃)
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.
[Water Solubility ]

Soluble in water, alcohol, chloroform
[Merck ]

14,2032
[BRN ]

3578606
[Cosmetics Ingredients Functions]

DEODORANT
ANTIMICROBIAL
ORAL CARE
ANTISTATIC
[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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H330-H335-H400
[Precautionary statements ]

P273-P280-P301+P312-P302+P352-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

T+,N,Xi
[Risk Statements ]

R25:Toxic if swallowed.
R26:Very Toxic by inhalation.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S7/9:Keep container tightly closed and in a well-ventilated place .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 1
[WGK Germany ]

3
[RTECS ]

UU5075000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

I
[HS Code ]

29333999
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cetylpyridinium chloride monohydrate(6004-24-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light beige powder
[Uses]

antiinfective (topical)
[Uses]

Pharmaceutic aid (preservative).
[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.]
[Toxics Screening Level]

The initial threshold screening level (ITSL) for cetylpyridinium chloride monohydrate is 1.8 μg/m3 based on an annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

Cetylpyridinium chloride monohydrate(6004-24-6)MS
Cetylpyridinium chloride monohydrate(6004-24-6)1HNMR
Cetylpyridinium chloride monohydrate(6004-24-6)13CNMR
Cetylpyridinium chloride monohydrate(6004-24-6)IR1
Cetylpyridinium chloride monohydrate(6004-24-6)IR2
Cetylpyridinium chloride monohydrate(6004-24-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Hexadecylpyridinium chloride monohydrate, 96.0-101.0%(6004-24-6)
[Alfa Aesar]

(1-Hexadecyl)pyridinium chloride monohydrate, 98%(6004-24-6)
[Sigma Aldrich]

6004-24-6(sigmaaldrich)
[TCI AMERICA]

Hexadecylpyridinium Chloride  Monohydrate,>98.0%(LC)(T)(6004-24-6)
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