Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]- InChIKey
NFCRBQADEGXVDL-UHFFFAOYSA-M- Summenformel
- C21H40ClNO
- Durchschnittliche Molmasse
- 358 g/mol
- Monoisotopische Masse
- 357,2798426
Namen und Bezeichner
- Bevorzugter Name
- Cetylpyridinium chloride monohydrate
- IUPAC
- 1-hexadecylpyridin-1-ium;chloride;hydrate
- Englischer Name
- Cetylpyridinium chloride monohydrate
- Summenformel
- C21H40ClNO
- Molmasse
- 358
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6004-24-6- PubChem CID
- 22324
- DTXSID
DTXSID20975463- ChEBI
CHEBI:3566- UNII
- D9OM4SK49P
- EC Number
- 678-154-9
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 4,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 208
Physikochemische Eigenschaften
- Schmelzpunkt
- 81 · 81-84 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: soluble0.5M, clear, colorless to faintly yellow
- Aggregatzustand
- Powder
- Farbe
- White
- PH
- 5 · 5.0-5.4 (10g/l, H2O, 20℃)
- Wasserlöslichkeit
- Soluble in water, alcohol, chloroform
- Merck
- 14 · 14,2032
- BRN
- 3578606 · 3578606
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.
- Kosmetik-Inhaltsstoffe Funktionen
- 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 Datenbank
- 6004 · 6004-24-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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
Regulatorische Informationen
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
Sicherheitsdaten
- wgk
- 3
- tsca
- Yes
- ridadr
- UN 2811 6.1/PG 1
- hs_code
- 29333999
- RTECS-Nr.
- UU5075000
- risk_code
- 25-26-38-50/53-36/37/38
- Toxizität
- LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)
- hazard_code
- T+,N,Xi
- safety_code
- 28-36/37-45-7/9-61-26-36
- hazard_class
- 6.1
- packing_group
- I
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwendenantiinfective (topical)
VerwendenCetylpyridinium 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.
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…