基本情報
- CAS
32208-04-1- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
FPKBRMRMNGYJLA-UHFFFAOYSA-M- 分子式
- C43H86NO5.CH3O4S
- 平均分子量
- 808.2 g/mol
- 単同位体質量
- 807.62580459
名称と識別子
- 優先名称
- Distearoylethyl hydroxyethylmonium methosulfate
- IUPAC
- 2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)azanium;methyl sulfate
- 現地名
- 2-ヒドロキシ-N-メチル-N，N-ビス［2-（ステアロイルオキシ）エチル］エタンアミニウム＝メチル＝スルファート
- 英語名
- (2-hydroxyethyl)methylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate
- 分子式
- C43H86NO5.CH3O4S
- 分子量
- 808.25
名称と別名
32208-04-1Dehyquart AU 56Distearoylethyl hydroxyethylmonium methosulfateG52U8T64UMDEHYQUART SEQDEHYQUART AU 46EINECS 250-952-8DTXSID10885527Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-N-(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-N-(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (salt)(2-Hydroxyethyl)methylbis(2-((1-oxooctadecyl)oxy)ethyl)ammonium methyl sulphate(2-hydroxyethyl)methylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate
名称をさらに表示
2-ヒドロキシ-N-メチル-N，N-ビス［2-（ステアロイルオキシ）エチル］エタンアミニウム＝メチル＝スルファートN-(2-ヒドロキシエチル)-N-メチル-2-[(1-オキソオクタデシル)オキシ]-N-[2-[(1-オキソオクタデシル)オキシ]エチル]エタンアミニウム・メチルスルファートEthanaminium,N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-,methyl sulfateEthanaminium, N-(2-hydroxyethyl)-N-methyl-2-(1-oxooctadecyl)oxy-N-2-(1-oxooctadecyl)oxyethyl-, methyl sulfate (salt)
Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (salt)N,N-DI(2-STEAROYLOXYETHYL)-N-METHYL-N-(2-HYDROXYETHYL)AMMONIUM METHYL SULFATERefChem:589648DTXCID901024896DISTEAROYLETHYL HYDROXYETHYLMONIUM METHOSULFATE [INCI]UNII-G52U8T64UMSCHEMBL230679
物性
構造計算による物性
- 極性表面積
- 148 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 42
- 重原子数
- 55
- 形式電荷
- 0
- 複雑度
- 738
実験および物理化学的性質
CosmeticsHair conditioning; Antistatic
物理化学的性質
- EPAの化学物質情報
- 2 · Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (salt) (32208-04-1)
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 3.3% (1 of 30) of reports.
Danger
H318 (96.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 3 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: Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (salt)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Ethanaminium, N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (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: Distearoylethyl hydroxyethylmonium methosulfate
Hazard Classes and CategoriesEye Dam. 1 (96.7%)
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
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 -> Hair conditioning; Antistatic
General Manufacturing InformationEthanaminium, N-(2-hydroxyethyl)-N-methyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1): ACTIVE
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