기본 정보
- 표준 SMILES
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M- 분자식
- C17H38N.Br
- 평균 분자량
- 336.4 g/mol
- 단동위원소 질량
- 335.21876232
개요
Cetrimide is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Tetradecyltrimethylammonium bromide
- IUPAC
- trimethyl(tetradecyl)azanium bromide
- 현지명
- 마이리스틸트리메틸암모늄 브롬화물
- 영어명
- Tetradecyltrimethylammonium bromide
- 분자식
- C17H38N.Br
- 분자량
- 336.39
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1119-97-7- PubChem CID
- 14250
- DTXSID
DTXSID0044367- ChEBI
CHEBI:3565- UNII
- 8483H94W1E
- EC Number
- 214-291-9
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 157
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Myrtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Preservative
물리화학적 성질
- 녹는점
- 245 · 245-250 °C(lit.)
- 밀도
- 1.1328 · 1.1328 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.526 · 1.5260 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O: · H2O: 10 %(v/w)
- 물리적 상태
- 미세 결정성 분말
- 색상
- 하얀색
- 수소이온지수(pH)
- 50 g/l, · pH (50g/l, 25℃ : 4.0~6.0
- 수용성
- 20 g/100mL · 20g/100mL
- Merck
- 14 · 14,6336
- BRN
- 3633227 · 3633227
- 안정성
- 안정적인. 흡습성. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 항균 방부제
- InChI
- 1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
- InChIKey
- CXRFDZFCGOPDTD-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCCCCCC[N+](C)(C)C
- LogP
- 2.2 at · 2.2 at 20℃
- EPA
- Tetradecyl trimethyl ammonium bromide (1119-97-7)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (3 of 698) of reports.
Danger
H302 (25.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 698 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Tetradecanaminium, N,N,N-trimethyl-, bromide
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10710
Tetradecyltrimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence and convulsions in intraperitoneal lethal-dose studies of mice; Causes somnolence and dyspnea in oral lethal-dose studies of rats; [RTECS] Corrosive; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
안전 및 보호
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
77 [mg/m3]
독성 정보
Toxicity Summary
The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Myrtrimonium Bromide...
Safe for use in cosmetics, with qualifications
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS5776000
- ridadr
- UN 3263 8/PG 2
- 독성
- LD50 in mice, rats (mg/kg): 12.0, 15.0 i.v. (Issomaa, Bjondahl)
- HS 번호
- 29239000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-34687
- F 고인화성물질
- 3
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT RE 2 OralSTOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
용도 및 제조
Uses
CIR ingredient: Myrtrimonium Bromide
Used as a disinfectant, deodorant, and laboratory reagent; [Merck Index] Formerly registered in the US as a disinfectant and carpet cleaner for institutional, hospital, restaurant, and related applications; [NPIRS]
Using Disinfectants or Biocides [Category: Clean]
응용 분야
용도Disinfectant; deodorant; laboratory reagent.
일반 설명Myristyltrimethylammonium bromide is a cationic/zwitterionic type of surfactant.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의Myristyltrimethylammonium bromide is an organic molecular entity.
관련 반응
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