セチルトリメチルアンモニウムブロミド
Hexadecyltrimethylammonium Bromide
基本情報
- CAS
57-09-0- 標準SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M- 分子式
- C19H42N.Br
- 平均分子量
- 364.4 g/mol
概要
Cetyltrimethylammonium bromide is the organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. It has a role as a detergent and a surfactant. It is a quaternary ammonium salt and an organic bromide salt. It contains a cetyltrimethylammonium ion.
名称と識別子
- 優先名称
- Hexadecyltrimethylammonium Bromide
- IUPAC
- hexadecyl(trimethyl)azanium bromide
- 現地名
- セチルトリメチルアンモニウムブロミド
- 英語名
- Hexadecyl trimethyl ammonium bromide
- 分子式
- C19H42BrN
- 分子量
- 364.45
名称と別名
57-09-0Cetrimonium bromideCetyltrimethylammonium bromideHexadecyltrimethylammonium bromideBromatCETABCentimideCtmabAcetoquat CTABCee deeCetyl trimethyl ammonium bromideTrimethylcetylammonium bromide
名称をさらに表示
ヘキサデシルトリメチルアンモニウムブロミド臭化セトリモニウムトリメチルセチルアミニウム·ブロミド臭化セチルトリメチルアンモニウム臭化ヘキサデシルトリメチルアンモニウムヘキサ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-ヘキサデカンアミニウム·ブロミドリッソラミンAヘキサデシルトリメチルアミニウム·ブロミドリソラミンA(ヘキサデシルトリメチルアミニウム)·ブロミドヘキサデシル(トリメチル)アンモニウム=ブロミドセチルトリメチルアンモニウム·ブロミドN-セチル-N,N,N-トリメチルアミニウム·ブロミドシラソールODヘキサデシルトリメチルアンモニウム·ブロミドトリメチル(ヘキサデシル)アミニウム·ブロミドN,N,N-トリメチルヘキサデカン-1-アミニウム·ブロミドセチルトリメチルアミニウム·ブロミドトリメチルヘキサデシルアミニウム·ブロミドCTABHTABCTABRCTMBcetarol
Bromuro de cetrimonioN-Cetyltrimethylammonium bromideBromure de cetrimoniumCetrimonii bromidumTrimethylhexadecylammonium bromideCetrimonio bromuroN-HEXADECYLTRIMETHYLAMMONIUM BROMIDEPalmityltrimethyl ammonium bromide
データベース識別子
- CAS
57-09-0、8044-71-1- PubChem CID
- 5974
- DTXSID
DTXSID5037028- ChEMBL
CHEMBL307346- ChEBI
CHEBI:3567- UNII
- L64N7M9BWR
- EC Number
- 200-311-3
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 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
- 15
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 181
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics
Cosmetics ingredient -> Conditioning/Emollient; Emulsifier; Fragrance; Preservative/Stabilizer
Cosmetic ingredients (Cetrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Preservative
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description
Dry Powder
White powder; [MSDSonline]
Collision Cross Section197.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 248 · 248-251 °C(lit.)
- 比重(密度)
- 1.1107 · 1.1107 (rough estimate)
- 屈折率
- 1.526 · 1.5260 (estimate)
- 闪点
- 244 °C · 244 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2 O: · H2O: 50 mg/mL
- 外見
- 粉
- 色
- 白い
- PH
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (5 of 823) of reports.
Danger
H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, 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 823 reports by companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: 1-Hexadecanaminium, N,N,N-trimethyl-, bromide
Hazard Traits - Hazard Trait Undefined
Regulation (EC) No 1935/2004 (amended)
1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10369
Cetrimonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment
Hazards Summary
Corrosive to skin and eyes; May cause skin sensitization; [eChemPortal: ERMA] Allergic contact dermatitis is infrequently documented; [Marks, p. 266] Quaternary ammonium compounds have curare-like properties when concentrated solutions are ingested; Affected patients may have methemoglobinemia and hemolysis and die within 1-3 hours; Elevated liver function tests were reported; Concentrated solutions can cause burns; No data on carcinogenicity or teratogenicity; [IPCS-PIMs]
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
用途と製造
Uses
CIR ingredient: Cetrimonium Bromide
Quarternary ammonium compounds are used as algaecides/slimicides (swimming pools, industrial water reservoirs, and farm ponds), antiseptcis for cleaning wounds, antistatic agents for textiles, softeners for paper products, and pigment dispersers; [IPCS-PIMs]
Using Disinfectants or Biocides [Category: Clean]
Cetyl-Trimethyl-Ammonium, Cetrimonium, cetyl trimethylammonium, or hexadecyltrimethylammonium is a quaternary ammonium cation whose bromide and chloride salts are used as antiseptics.
U.S. Production2023: 4,409 lb
Industry UsesOther
Household Products
Cosmetics product ingredient: Cetrimonium bromide
Information on 9 consumer products that contain Cetrimonium bromide in the following categories is provided:
Use ClassificationCosmetics -> Preservative
General Manufacturing Information
Printing Ink Manufacturing
1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
応用分野
解説セチルトリメチルアンモニウムブロミド，白色の結晶．分解点245 ℃．水，エタノールに可溶，有機溶媒に難溶．カチオン界面活性剤，相間移動触媒として，また，繊維の帯電防止・柔軟剤，酸性多糖や核酸の沈殿剤として用いられる．毒性がある．森北出版「化学辞典（第2版）
使用antiinfectant
関連反応
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化合物ノート
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