基本情報
- CAS
693-33-4- 標準SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]- InChIKey
TYIOVYZMKITKRO-UHFFFAOYSA-N- 分子式
- C20H41NO2
- 平均分子量
- 327.5 g/mol
- 単同位体質量
- 327.31372955
概要
The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Cetyl Betaine...
名称と識別子
- 優先名称
- n-(carboxymethyl)-n,n-dimethyl-1-hexadecanaminium hydroxide, inner salt
- IUPAC
- 2-[hexadecyl(dimethyl)azaniumyl]acetate
- 現地名
- (ヘキサデシルジメチルアミニオ)アセタート
- 英語名
- HEXADECYLBETAINE
- 分子式
- C21H43NO2
- 分子量
- 341.57162
名称と別名
Cetyl betainePalmityldimethylbetaine1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt(Carboxylatomethyl)hexadecyldimethylammoniumEINECS 211-748-4BRN 3676787AMPHOSOL CDBMACKAM CETE945X08YA91-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner saltHEXADECYLDIMETHYLBETAINEAmmonium, (carboxymethyl)hexadecyldimethyl-, hydroxide, inner salt
名称をさらに表示
N,N-ジメチル-N-(カルボキシラトメチル)ヘキサデカン-1-アミニウムカルボキシラトメチルヘキサデシルジメチルアンモニウム2-(ジメチルヘキサデシルアミニオ)アセタートN,N-ジメチル-N-(カルボキシラトメチル)-1-ヘキサデカンアミニウムN-ヘキサデシル-N,N-ジメチルカルボキシラトメタンアミニウム(N-ヘキサデシル-N,N-ジメチルアミニオ)アセタートヘキサデシルジメチルアミニオアセタート(ヘキサデシルジメチルアミニオ)アセタートN-カルボキシラトメチル-N,N-ジメチルヘキサデカン-1-アミニウムジメチル(ヘキサデシル)アミニオアセタートN,N-ジメチル-N-ヘキサデシル(カルボキシラト)メタンアミニウムヘキサデシルジメチル(カルボキシラトメチル)アミニウムN-セチルベタインN-ヘキサデシルベタインN,N-ジメチル-N-カルボキシラトメチルヘキサデカン-1-アミニウム
物性
構造計算による物性
- XLogP
- 8.3
- 極性表面積
- 40.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 16
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 271
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Cetyl Betaine) -> CIR (Cosmetic Ingredient Review)
Antistatic; Foam boosting; Hair conditioning; Cleansing; Surfactant
Physical DescriptionCBI; Liquid
物理化学的性質
- 沸点
- 465.41 °C · 465.41°C (rough estimate)
- 比重(密度)
- 0.9732 · 0.9732 (rough estimate)
- 蒸気圧
- 13.197 hPa · 13.197hPa at 21.1℃
- 屈折率
- 1.5614 · 1.5614 (estimate)
- 水溶解度
- 444.8 g/L · 444.8g/L at 25℃
- 化粧品成分の機能
- 界面活性剤 - 洗浄クレンジングヘアコンディショニング界面活性剤 - 泡立ち促進剤粘度制御スキンコンディショニング帯電防止
- LogP
- 0.009 at · 0.009 at 25℃
- CAS データベース
- 693 · 693-33-4
- EPAの化学物質情報
- 1 · 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt (693-33-4)
化学的性質
化学的特性Liquid
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
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt 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)
REACH registered substance: (carboxylatomethyl)hexadecyldimethylammonium (EC: 211-748-4)
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
EPA Safer ChemicalChemical: 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Cetyl Betaine...
化学と産業
用途と製造
UsesCIR ingredient: Cetyl Betaine
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesThickening agent
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 52 consumer products that contain Cetyl betaine in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Antistatic; Foam boosting; Hair conditioning; Cleansing; Surfactant
General Manufacturing Information
Wholesale and Retail Trade
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt: ACTIVE
応用分野
使用Lonzaine(R) 16SP is a mild, high foaming, biodegradable cetyl betaine. Suggested applications: foam stabilizer, thickener for shampoos.
サプライヤー69 社
北京华美互利生物化工010-56205725 · [email protected]
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湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
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