2-[3-(オレオイルアミノ)プロピルジメチルアミニオ]アセタート
Oleamidopropyl Betaine
基本情報
- CAS
25054-76-6- 標準SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]- InChIKey
ZKWJQNCOTNUNMF-QXMHVHEDSA-N- 分子式
- C25H48N2O3
- 平均分子量
- 424.7 g/mol
- 単同位体質量
- 424.3664934
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...Oleamidopropyl Betaine...
名称と識別子
- 優先名称
- Oleamidopropyl Betaine
- IUPAC
- 2-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azaniumyl]acetate
- 現地名
- 2-[3-(オレオイルアミノ)プロピルジメチルアミニオ]アセタート
- 英語名
- (Z)-(carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammonium hydroxide
- 分子式
- C25H48N2O3
- 分子量
- 424.67
名称と別名
Oleamidopropyl betaineUK7B5M6P8QOleamidopropyl dimethyl glycine(Z)-(Carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammonium hydroxide1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, inner salt(Z)-(Carboxymethyl)dimethyl-3-((1-oxo-9-octadecenyl)amino)propylammonium hydroxide1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(9Z)-1-oxo-9-octadecenylamino-, inner salt1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(((9Z)-1-oxo-9-octadecenyl)amino)-, inner salt1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxo-9-octadecenyl)amino)-, hydroxide, inner salt, (Z)-1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxo-9-octadecenyl)amino]-, hydroxide, inner salt, (Z)-RefChem:856479OLEAMIDOPROPYL BETAINE [INCI]
名称をさらに表示
2-[3-(オレオイルアミノ)プロピ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-3-[[(Z)-1-オキソ-9-オクタデセニル]アミノ]-1-プロパンアミニウム（ジメチル｛3-［（Z）-オクタデカ-9-エノイルアミノ］プロピル｝アンモニオ）アセタートオレアミドプロピルベタイン2-[ジメチル({3-[(9Z)-オクタデカ-9-エンアミド]プロピル})アザニウミル]アセタート2-[3-(オレオイルアミノ)プロピルジメチルアミニオ]酢酸アニオンN-(カルボキシラトメチル)-N,N-ジメチル-3-(オレオイルアミノ)プロパン-1-アミニウムOleic acid amidopropyl betaineOleic acid amide propyl betaineOleamide propyl betaine2-[3-(Oleoylamino)propyldimethylaminio]acetate(Z)-(Carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammoniumhydroxid
N-(Carboxymethyl)-N,N-Dimethyl-3-((1-Oxooctadecenyl)Amino)-1-Prop-25054-76-62-(Dimethyl(3-oleamidopropyl)ammonio)acetate2-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azaniumyl]acetateUNII-UK7B5M6P8QEINECS 246-584-2N-Oleoylamidopropyl-N,N-dimethylbetaineoleylamidopropyl betaine
データベース識別子
- CAS
25054-76-6- PubChem CID
- 6436555
- DTXSID
DTXSID20893471- UNII
- UK7B5M6P8Q
- EC Number
- 246-584-2
- Nikkaji
- J236.038A
物性
構造計算による物性
- XLogP
- 7.7
- 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
- 20
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 456
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Oleamidopropyl Betaine) -> CIR (Cosmetic Ingredient Review)
Surfactant; Antistatic; Cleansing; Skin conditioning; Foam boosting; Hair conditioning
Physical DescriptionLiquid
物理化学的性質
- 化粧品成分の機能
- 帯電防止界面活性剤 - 洗浄クレンジング界面活性剤 - 泡立ち促進剤スキンコンディショニングヘアコンディショニング
- InChI
- InChI=1S/C25H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30/h11-12H,4-10,13-23H2,1-3H3,(H-,26,28,29,30)/b12-11-
- InChIKey
- ZKWJQNCOTNUNMF-QXMHVHEDSA-N
- SMILES
- C(C[N+](C)(C)CC(=O)[O-])CNC(=O)CCCCCCC/C=C\CCCCCCCC
- LogP
- 2.974 · 2.974 (est)
- EPAの化学物質情報
- 1 · 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, inner salt (25054-76-6)
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
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 7 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-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, inner salt
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]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-[[(9Z)-1-oxo-9-octadecenyl]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-(9Z)-1-oxo-9-octadecenylamino-, 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.
Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)
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...Oleamidopropyl 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: Oleamidopropyl Betaine
U.S. Production2023: 500,000 - <1,000,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 1 consumer products that contain Oleamidopropyl betaine in the following categories is provided:
Use ClassificationCosmetics -> Surfactant; Antistatic; Cleansing; Skin conditioning; Foam boosting; Hair conditioning
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, inner salt: ACTIVE
補足説明
定義本品は、次の化学式で表される両性化合物である。
関連反応
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