基本情報
- CAS
27177-05-5- 標準SMILES
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1- InChIKey
XXPRRHYTDCWGRP-UHFFFAOYSA-N- 分子式
- C31H56O9
- 平均分子量
- 572.8 g/mol
- 単同位体質量
- 572.39243336
概要
The CIR Expert Panel concluded that the following 27 Nonoxynols listed below are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating..Nonoxynol-8...
名称と識別子
- 優先名称
- Octaethylene glycol mono(p-nonylphenyl) ether
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- 現地名
- 23-(4-ノニルフェノキシ)-3,6,9,12,15,18,21-ヘプタオキサトリコサン-1-オール
- 英語名
- Brn 2492581
- 分子式
- C31H56O9
- 分子量
- 572.77
名称と別名
41506-14-3RefChem:1093770Octaethylene glycol mono(p-nonylphenyl) etherNonylbenzene-PEG8-OHNonoxynol-823-(4-Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-olRokafenol N-827177-05-523-(Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-olBRN 24925812-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(nonylphenoxy)-
名称をさらに表示
4-ノニル-1-(3,6,9,12,15,18,21-ヘプタオキサ-23-ヒドロキシトリコサン-1-イルオキシ)ベンゼン24-(4-ノニルフェニル)-3,6,9,12,15,18,21,24-オクタオキサテトラコサン-1-オール23-(4-ノニルフェノキシ)-3,6,9,12,15,18,21-ヘプタオキサトリコサン-1-オール23-(p-ノニルフェノキシ)-3,6,9,12,15,18,21-ヘプタオキサトリコサン-1-オール2-[2-[2-[2-[2-[2-[2-[2-(4-ノニルフェノキシ)エトキシ]エトキシ]エトキシ]エトキシ]エトキシ]エトキシ]エトキシ]エタノールCAS_41506-14-33,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(4-nonylphenoxy)-1(1-Hydroxy-4,7,10,13,16,19,22-heptaoxa)tetracosyl-4-nonylbenzol
Nonoxynol 8Alfenolu 8Alphenol 8Nonylphenol octaethoxylate2-(2-(2-(2-(2-(2-(2-(2-(4-nonylphenoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanolEINECS 248-293-6Nonylphenol hepta(oxyethylene) ethanolNPEO8
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 94.1 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
- 32
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 476
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Nonoxynol-8) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Surfactant
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 沸点
- 594.91 °C · 594.91°C (rough estimate)
- 比重(密度)
- 1.031 · 1.0310 (rough estimate)
- 屈折率
- 1.7 · 1.7000 (estimate)
- 酸解離定数(Pka)
- 14.36 · 14.36±0.10(Predicted)
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: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(nonylphenoxy)-
Hazard Traits - Endocrine Toxicity
SP - indicates a substance that is identified in a proposed Significant New Use Rule.
Substance: 23-(nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
Other Safety InformationIMAP assessments - Nonylphenol ethoxylates and their sulfate and phosphate esters: Environment tier II assessment
Hazard Classes and CategoriesAcute toxicity (ingestion) - category 4
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the following 27 Nonoxynols listed below are safe in the present practices of use and concentration in cosmetics as described in this safety assessment, when formulated to be non-irritating..Nonoxynol-8...
Safe for use in cosmetics, with qualifications
安全データ
- 毒性
- LD50 par-rat: 5585 mg/kg ANNPHR 10,23,73
- 化審法
- 優先評価化学物質
化学と産業
用途と製造
UsesCIR ingredient: Nonoxynol-8
Use ClassificationCosmetics -> Emulsifying; Surfactant
General Manufacturing Information3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(nonylphenoxy)-: ACTIVE
サプライヤー2 社
北京华美互利生物化工010-56205725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…