基本情報
- CAS
6179-44-8- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]- InChIKey
QVRMIJZFODZFNE-UHFFFAOYSA-N- 分子式
- C25H50N2O3
- 平均分子量
- 426.7 g/mol
- 単同位体質量
- 426.38214346
概要
The CIR Expert Panel concluded that the following ingredients are safe in cosmetics as long as they are formulated to be non-sensitizing, which may be based on a QRA...Stearamidopropyl Betaine...
名称と識別子
- 優先名称
- Stearamidopropyl Betaine
- IUPAC
- 2-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]acetate
- 現地名
- 2-[3-(オクタデカノイルアミノ)プロピルジメチルアミニオ]アセタート
- 英語名
- (carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
- 分子式
- C25H50N2O3
- 分子量
- 426.69
名称と別名
Stearamidopropyl betaine1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, inner salt56Y0Z3W67K(Carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, hydroxide, inner salt1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, inner saltSTEARATE AMIDOPROPYLDIMETHYL ACETATE BETAINEDIMETHYLCARBOXYMETHYLENEPROPYLENEAMIDOSTEARATE-BETAINE(Carboxymethyl)dimethyl-3-((1-oxooctadecyl)amino)propylammonium hydroxide(CARBOXYMETHYL)DIMETHYL(3-STEARAMIDOPROPYL)AMMONIUM HYDROXIDE, INNER SALTDIMETHYL(CARBOXYMETHYL)(3-STEARAMIDOPROPYL)AMMONIUM HYDROXIDE INNER SALT1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, hydroxide, inner salt
名称をさらに表示
N-(カルボキシラトメチル)-N,N-ジメチル-3-[(1-オキソオクタデシル)アミノ]-1-プロパンアミニウム2-[3-(オクタデカノイルアミノ)プロピルジメチルアミニオ]アセタート2-｛ジメチル-［3-（オクタデカノイルアミノ）プロピル］アンモニオ｝アセタート(ジメチル{3-[(1-オキソオクタデシル)アミノ]プロピル}アンモニオ)アセタート
物性
構造計算による物性
- XLogP
- 8.6
- 極性表面積
- 69.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 21
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 419
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Stearamidopropyl Betaine) -> CIR (Cosmetic Ingredient Review)
Cleansing; Foaming; Surfactant; Hair conditioning; Skin conditioning; Antistatic
Physical DescriptionCBI; Liquid
物理化学的性質
- 溶解性
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- 外見
- Solid
- 色
- White to Off-White
- 安定性
- Hygroscopic
- 化粧品成分の機能
- 界面活性剤 - 洗浄スキンコンディショニングクレンジング帯電防止粘度制御ヘアコンディショニング発泡
- LogP
- 3.383 · 3.383 (est)
- EPAの化学物質情報
- 1 · 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, inner salt (6179-44-8)
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 ClassificationNot Classified
危険有害性情報
Regulatory Information
Chemical: 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, inner salt
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, 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)
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(1-oxooctadecyl)amino-, 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.
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in cosmetics as long as they are formulated to be non-sensitizing, which may be based on a QRA...Stearamidopropyl Betaine...
Safe for use in cosmetics, with qualifications
安全データ
- tsca
- TSCA listed
- 化審法
- 優先評価化学物質
化学と産業
用途と製造
UsesCIR ingredient: Stearamidopropyl Betaine
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Use ClassificationCosmetics -> Cleansing; Foaming; Surfactant; Hair conditioning; Skin conditioning; Antistatic
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, inner salt: ACTIVE
応用分野
使用Stearoylamide Propylbetaine is an analog of Lauroylamide Betaine (L178620), used cosmetic and hair compositions of enhanced viscosity and clarity.
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