Basic information
- CAS
6004-24-6- Standard SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]- InChIKey
NFCRBQADEGXVDL-UHFFFAOYSA-M- Molecular formula
- C21H40ClNO
- Average molar mass
- 358 g/mol
- Monoisotopic mass
- 357.2798426
Names & identifiers
- Preferred name
- Cetylpyridinium chloride monohydrate
- IUPAC
- 1-hexadecylpyridin-1-ium;chloride;hydrate
- English name
- Cetylpyridinium chloride monohydrate
- Molecular formula
- C21H40ClNO
- Molecular weight
- 358
Names & synonyms
Cetylpyridinium chloride monohydrate6004-24-61-hexadecylpyridin-1-ium chloride hydrateHexadecylpyridinium chloride monohydrate1-Hexadecylpyridinium chloride monohydratePYRIDINIUM, 1-HEXADECYL-, CHLORIDE, MONOHYDRATE1-hexadecylpyridin-1-ium;chloride;hydrateC21H40ClNOMFCD00149977Cetylpyridinium (chloride monohydrate)Cetylpyridinium chloride hydrate (JAN)CETYLPYRIDINIUM CHLORIDE HYDRATE [JAN]
Show more names
CPCCetylpyridiniumchloride,monohSprolCetylpyridinum chloride1-CETYLPYRIDINIUM CHLORIDE MONOHYDRATEPyridinium,1-hexadecyl-,chloride,monohydrateCPC [C16Py]Cl.H2O
UNII-D9OM4SK49PCetylpyridinium chloride (USP)CPC MonohydrateCetylpyridiniumchloridemonohydrateSprol (TN)Cetylpyridinium chloride [USP:INN:BAN:JAN]Cetylpyridinium chloride CRSSCHEMBL93923
Database identifiers
- CAS
6004-24-6- PubChem CID
- 22324
- DTXSID
DTXSID20975463- ChEBI
CHEBI:3566- UNII
- D9OM4SK49P
- EC Number
- 678-154-9
Properties
Computed structural properties
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 81 · 81-84 °C
- bulk density
- 370 kg/m3 · 370kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: soluble0.5M, clear, colorless to faintly yellow
- form
- Powder
- color
- White
- PH
- 5 · 5.0-5.4 (10g/l, H2O, 20℃)
- Water Solubility
- Soluble in water, alcohol, chloroform
- Merck
- 14 · 14,2032
- BRN
- 3578606 · 3578606
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.
- Cosmetics Ingredients Functions
- DEODORANTANTIMICROBIALORAL CAREANTISTATIC
- 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 · 1.699 (est)
- CAS DataBase Reference
- 6004 · 6004-24-6(CAS DataBase Reference)
- FDA UNII
- 9 OM4SK49P · D9OM4SK49P
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H330-H335-H400
- Precautionary statements
- 273 · P273-P280-P301+P312-P302+P352-P304+P340+P310-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T+,N,Xi
- Risk Statements
- 25 · 25-26-38-50/53-36/37/38
- Safety Statements
- 28 · 28-36/37-45-7/9-61-26-36
- RIDADR
- 2811 · UN 2811 6.1/PG 1
- WGK Germany
- 3 · 3
- RTECS
- 5075000 · UU5075000
- TSCA
- Yes
- HazardClass
- 6.1 · 6.1
- PackingGroup
- I
- HS Code
- 29333999 · 29333999
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
- Toxicity
- 50 in · LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)
- Limited Quantities
- 0.5 Kg · 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (98%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (93.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (95%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (97%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (86.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 101 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Pyridinium, 1-hexadecyl-, chloride, monohydrate
1-Hexadecylpyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Alkyl pyridinium surfactants
Hazard Classes and CategoriesAcute Tox. 3 (98%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (93.1%)；Acute Tox. 2 (95%)；STOT SE 3 (98%)；Aquatic Acute 1 (97%)；Aquatic Chronic 1 (86.1%)
Regulatory information
Regulatory Information
Chemical: Pyridinium, 1-hexadecyl-, chloride, monohydrate
1-Hexadecylpyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- Yes
- rtecs
- UU5075000
- ridadr
- UN 2811 6.1/PG 1
- hs_code
- 29333999
- Toxicity
- LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)
- risk_code
- 25-26-38-50/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS09
- hazard_code
- T+,N,Xi
- safety_code
- 28-36/37-45-7/9-61-26-36
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- I
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H330-H335-H400
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P273-P280-P301+P312-P302+P352-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 5 consumer products that contain Cetylpyridinium chloride [INN:BAN:JAN] in the following categories is provided:；• Personal Care；• Pet Care
Applications
Usesantiinfective (topical)
UsesPharmaceutic aid (preservative).
UsesCetylpyridinium chloride monohydrate is used in a study to assess removal of emulsified oil from oily waste water and removal of emulsified food and mineral oils from waste water. And it is used for detergent-based extraction of membrane-associated enzymes such as alkaline phosphatase, and in extraction of chromium and palladium.
General DescriptionCetylpyridinium chloride monohydrate 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.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海森灏精细化工有限公司021-66058261,63812598,18301703451 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州埃肯新材料有限公司15258847994
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
石家庄可辰化工有限公司18633820607 18633820607 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Additional notes
DefinitionChEBI: Cetylpyridinium chloride monohydrate is a hydrate. It contains a cetylpyridinium chloride.
Related reactions
2 records
Compound notes
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