CAS 1119-97-7 Tetradecyltrimethylammonium bromide (HCID 14250)

概要

Cetrimide is an organic molecular entity.

名称と識別子

優先名称: Tetradecyltrimethylammonium bromide
IUPAC: trimethyl(tetradecyl)azanium bromide
現地名: テトラデシルトリメチルアンモニウムブロミド
英語名: Tetradecyltrimethylammonium bromide
分子式: C17H38N.Br
分子量: 336.39

名称と別名

1119-97-7Tetradecyltrimethylammonium bromideTetradonium bromideTetradecyl Trimethyl Ammonium BromideMytabMorpan TQuaternium 13Tetradonio bromuroTetradonii bromidumTrimethyltetradecylammonium bromideBromuro de tetradonioBromure de tetradonium

名称をさらに表示

テトラデシルトリメチルアンモニウムブロミドN,N,N-トリメチル-1-テトラデカンアミニウム·ブロミドミリスチルトリメチルアミニウム·ブロミドテトラドニウムブロミド臭化トリメチルテトラデシルアンモニウム臭化テトラドニウムトリメチルテトラデシルアミニウム·ブロミドトリメチル(テトラデシル)アミニウム·ブロミドテトラデシルトリメチルアミニウム·ブロミドテトラデシルトリメチルアンモニウム·ブロミドトリメチルテトラデシルアンモニウムブロミドミリスチルトリメチルアンモニウムブロミド臭化ミリスチルトリメチルアンモニウムミルトリモニウムブロミドN,N,N-トリメチルテトラデカン-1-アミニウムブロミドテトラデシルトリメチルアンモニウム=ブロミド臭化テトラデシルトリメチルアンモニウムTTABMTABMyristyltrimethylammonium bromideCetrimide SolutionMYRTRIMONIUM BROMIDEtetradecyltrimethyl-ammoniubromideTetradecanaminium,N,N,N-trimethyl-,bromide1432

Trimethylmyristylammonium bromideAmmonium, trimethyltetradecyl-, bromideDTXSID0044367Sumquat 6110Myristyl trimethyl ammonium bromide8483H94W1EDTXCID8024367RHODAQUAT M-214C/99

データベース識別子

CAS: 1119-97-7
PubChem CID: 14250
DTXSID: DTXSID0044367
ChEBI: CHEBI:3565
UNII: 8483H94W1E
EC Number: 214-291-9

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 13
重原子数: 19
形式電荷: 0
複雑度: 157

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Cosmetics · 2 件

Cosmetic ingredients (Myrtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)

Preservative

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionWhite solid; [Merck Index] Colorless hygroscopic crystals; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 245 · 245-250 °C(lit.)
比重(密度): 1.1328 · 1.1328 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.526 · 1.5260 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 2 mg/ml · DMF: 2 mg/ml DMSO: 16 mg/ml Ethanol: 33 mg/ml PBS (pH 7.2): 5 mg/ml
外見: 微結晶性粉末
色: 白い
PH: 50 g/l, · pH (50g/l, 25℃ : 4.0～6.0
水溶解度: 20 g/100mL · 20g/100mL
Merck: 14 · 14,6336
BRN: 3633227 · 3633227
安定性: 安定。吸湿性。強力な酸化剤とは相容れない。
化粧品成分の機能: 防腐剤
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℃
CAS データベース: 1119 · 1119-97-7(CAS DataBase Reference)
EPAの化学物質情報: Tetradecyl trimethyl ammonium bromide (1119-97-7)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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

Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment

Hazards Summary · 1 件

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]

Hazard Classes and CategoriesAcute Tox. 4 (25.4%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.2 [mg/m3]

13 [mg/m3]

77 [mg/m3]

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Toxicity Summary · 2 件

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

安全データ

F: 3
wgk: 3
tsca: TSCA listed
rtecs: BS5776000
ridadr: UN 3263 8/PG 2
毒性: LD50 in mice, rats (mg/kg): 12.0, 15.0 i.v. (Issomaa, Bjondahl)
hs_code: 29239000
risk_code: 34
化審法: (2)-182, (2)-184, (9)-1971
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT RE 2 OralSTOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.

用途と製造

Uses · 3 件

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]

Use ClassificationCosmetics -> Preservative

General Manufacturing Information1-Tetradecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE

応用分野

使用Disinfectant; deodorant; laboratory reagent.

一般的な説明Myristyltrimethylammonium bromide is a cationic/zwitterionic type of surfactant.

調製方法 · 1 件

純化方法Crystallise the bromide from acetone or a mixture of Me2CO and >5% MeOH or Me2CO/EtOH. Wash it with diethyl ether and dry it in a vacuum oven at 60o. It is a cationic detergent. Its solubility is 1g/5g H2O. [Dearden & Wooley J Phys Chem 91 2404 1987, Shelton et al. J Am Chem Soc 68 754 1946, Beilstein 4 III 419, 4 IV 813.]