세틸피리디늄 염화물 모노수화물
Cetylpyridinium chloride monohydrate
기본 정보
- CAS
6004-24-6- 표준 SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]- InChIKey
NFCRBQADEGXVDL-UHFFFAOYSA-M- 분자식
- C21H38N.Cl.H2O
- 평균 분자량
- 358 g/mol
- 단동위원소 질량
- 357.2798426
개요
Cetylpyridinium chloride monohydrate is a hydrate. It contains a cetylpyridinium chloride.
이름 및 식별자
- 우선 이름
- Cetylpyridinium chloride monohydrate
- IUPAC
- 1-hexadecylpyridin-1-ium;chloride;hydrate
- 현지명
- 세틸피리디늄 염화물 모노수화물
- 영어명
- Cetylpyridinium chloride monohydrate
- 분자식
- C21H40ClNO
- 분자량
- 358
이름 및 동의어
Cetylpyridinium chloride monohydrate6004-24-61-hexadecylpyridin-1-ium chloride hydrateHexadecylpyridinium chloride monohydrate1-Hexadecylpyridinium chloride monohydrateC21H40ClNOPYRIDINIUM, 1-HEXADECYL-, CHLORIDE, MONOHYDRATECPC Monohydrate1-hexadecylpyridin-1-ium;chloride;hydrateMFCD00149977Sprol (TN)Cetylpyridinium chloride CRS
이름 더 보기
세틸피리디늄염화물모노수화물세틸피리디늄염화물모노수화물(CETYLPYRIDINIUMCHLORIDEMONOHYDRATE)CPCCetylpyridiniumchloride,monohSprolCetylpyridinum chloride1-CETYLPYRIDINIUM CHLORIDE MONOHYDRATEPyridinium,1-hexadecyl-,chloride,monohydrateCPC [C16Py]Cl.H2O
6004-24-6(monohydrate)Cetylpyridinium chloride hydrateCetylpyridinium (chloride monohydrate)Cetylpyridinium chloride hydrate (JAN)CETYLPYRIDINIUM CHLORIDE HYDRATE [JAN]UNII-D9OM4SK49PCetylpyridinium chloride (USP)Cetylpyridiniumchloridemonohydrate
데이터베이스 식별자
- CAS
6004-24-6- PubChem CID
- 22324
- DTXSID
DTXSID20975463- ChEMBL
CHEMBL2003538- ChEBI
CHEBI:3566- UNII
- D9OM4SK49P
- EC Number
- 678-154-9
물성
구조 계산 물성
- 극성 표면적
- 4.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 208
물리화학적 성질
- 녹는점
- 81 · 81-84 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O: · H2O: 용해성0.5M, 투명, 무색~엷은 노란색
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수소이온지수(pH)
- 5 · 5.0-5.4 (10g/l, H2O, 20℃)
- 수용성
- 물, 알코올, 클로로포름에 용해됨
- Merck
- 14 · 14,2032
- BRN
- 3578606 · 3578606
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제, 산, 산 무수물, 산 염화물과 호환되지 않습니다.
- 화장품 원료 기능
- 탈취제항균구강 관리대전방지제
- 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)
화학적 성질
white to light beige powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (98%): Toxic if swallowed [Danger Acute toxicity, oral]
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.
유해성 정보
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%)
안전 데이터
- wgk
- 3
- tsca
- Yes
- rtecs
- UU5075000
- ridadr
- UN 2811 6.1/PG 1
- 독성
- LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)
- HS 번호
- 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
- 포장분류
- I
- 위험 등급
- 6.1
화학 및 산업
용도 및 제조
Household ProductsInformation on 5 consumer products that contain Cetylpyridinium chloride [INN:BAN:JAN] in the following categories is provided:
응용 분야
용도antiinfective (topical)
용도Cetylpyridinium 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.
일반 설명Cetylpyridinium 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.
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