Cetylpyridinium chloride monohydrate (HCID 22324)

名称と識別子

優先名称: Cetylpyridinium chloride monohydrate
IUPAC: 1-hexadecylpyridin-1-ium;chloride;hydrate
現地名: セチルピリジニウムクロリド
英語名: Cetylpyridinium chloride monohydrate
分子式: C21H40ClNO
分子量: 358

名称と別名

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]

名称をさらに表示

ヘキサデシルピリジニウムクロリド一水和物セチルピリジニウムクロリドセチルピリジニウム·クロリド·水和物スプロールセチルピリジニウムクロリド水和物1-ヘキサデシルピリジニウム·クロリド·水和物塩化1-N-ヘキサデシルピリジニウム一水和物塩化N-セチルピリジニウム一水和物１ヘキサデシルピリジニウム＝クロリド＝モノヒドラト塩化セチルピリジニウム一水和物CPC一水和物セチルピリジニウムクロリド一水和物塩化1‐N‐ヘキサデシルピリジニウム一水和物ヘキサデシルピリジニウムクロリド一水和物(CPC)N-ヘキサデシルピリジニウムクロリド一水和物ヘキサデシルピリジニウムクロリド一水和物セチルピリジニウム塩化物水和物セチルピリジニウム塩化物水和物 (JAN)1-ヘキサデシルピリジニウム・クロリド・水和物セチルピリジニウム・クロリド・水和物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

データベース識別子

CAS: 6004-24-6
PubChem CID: 22324
DTXSID: DTXSID20975463
ChEBI: CHEBI:3566
UNII: D9OM4SK49P
EC Number: 678-154-9

物性

構造計算による物性

極性表面積: 4.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 15
重原子数: 24
形式電荷: 0
複雑度: 208

物理化学的性質

融点: 81 · 81-84 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 2 O: · H2O: 可溶0.5M、透明、無色～微黄色
外見: 粉
色: 白い
PH: 5 · 5.0-5.4 (10g/l, H2O, 20℃)
水溶解度: 水、アルコール、クロロホルムに可溶
Merck: 14 · 14,2032
BRN: 3578606 · 3578606
安定性: 安定。可燃性。強力な酸化剤、酸、酸無水物、酸塩化物とは相容れない。
化粧品成分の機能: デオドラント抗菌剤口腔ケア帯電防止
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 データベース: 6004 · 6004-24-6(CAS DataBase Reference)

化学的性質

化学的特性white to light beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

法規制情報

Regulatory Information · 2 件

Chemical: Pyridinium, 1-hexadecyl-, chloride, monohydrate

1-Hexadecylpyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: Yes
rtecs: UU5075000
ridadr: UN 2811 6.1/PG 1
毒性: LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)
hs_code: 29333999
risk_code: 25-26-38-50/53-36/37/38
hazard_code: T+,N,Xi
safety_code: 28-36/37-45-7/9-61-26-36
hazard_class: 6.1
packing_group: I
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

Household ProductsInformation on 5 consumer products that contain Cetylpyridinium chloride [INN:BAN:JAN] in the following categories is provided:；• Personal Care；• Pet Care

応用分野 · 3 件

使用antiinfective (topical)

使用Cetylpyridinium 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.

一般的な説明Cetylpyridinium 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.

調製方法

純化方法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.]

サプライヤー50 社

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]

補足説明

定義本品は、次の化学式で表される4級アンモニウム塩である。

セチルピリジニウムクロリド

基本情報