N-(2-ヒドロキシエチル)-4-メトキシ-1,3-フェニレンジアミン
1-Methoxy-2-amino-4-(2-hydroxyethylamino)benzene
基本情報
- CAS
83763-47-7- 標準SMILES
COc1ccc(NCCO)cc1N- InChIKey
SBUMIGFDXJIPLE-UHFFFAOYSA-N- 分子式
- C9H14N2O2
- 平均分子量
- 182.22 g/mol
- 単同位体質量
- 182.10552769
概要
The CIR Expert Panel concluded that 2-amino-4-hydroxyethylaminoanisole and 2-amino-4-hydroxyethylaminoanisole sulfate are safe for use in oxidative hair dye formulations. Were the free base (2-amino-4-hydroxyethylaminoanisole) to be used in the future, the expectation is that it would be used at concentrations similar to the sulfate salt. The Expert Panel cautions that these ingredients should not be used in hair dye products in which N-nitroso compounds may be formed.
名称と識別子
- 優先名称
- 1-Methoxy-2-amino-4-(2-hydroxyethylamino)benzene
- IUPAC
- 2-(3-amino-4-methoxyanilino)ethanol
- 現地名
- N-(2-ヒドロキシエチル)-4-メトキシ-1,3-フェニレンジアミン
- 英語名
- 2-[(3-amino-4-methoxyphenyl)amino]ethanol
- 分子式
- C9H14N2O2
- 分子量
- 182.22
名称と別名
83763-47-72-Amino-4-hydroxyethylaminoanisole0NK0KYZ30RDTXSID502326171-methoxy-2-amino-4-(2-hydroxyethylamino)benzeneRefChem:85205DTXCID80155108280-733-22-((3-Amino-4-methoxyphenyl)amino)ethanol2-(3-amino-4-methoxyanilino)ethanol2-[(3-AMINO-4-METHOXYPHENYL)AMINO]ETHANOLMFCD10566418
名称をさらに表示
2-[(3-アミノ-4-メトキシフェニル)アミノ]エタノールN-(2-ヒドロキシエチル)-4-メトキシ-1,3-フェニレンジアミン2-[(3-アミノ-4-メトキシフェニル)アミノ]エタン-1-オールEthanol, 2-(3-amino-4-methoxyphenyl)amino-2-AMINO-4-[N-(2-HYDROXYETHLY)AMINO]ANISOLE2-Amino-4-(N-(2-hydroxyethyl)amino)anisoleAdrenaline Hydrochloride Impurity 95 Monomer
Ethanol, 2-[(3-amino-4-methoxyphenyl)amino]-Ethanol, 2-((3-amino-4-methoxyphenyl)amino)-EINECS 280-733-2UNII-0NK0KYZ30R2-((3-amino-4-methoxyphenyl)amino)ethan-1-olSCHEMBL36033SCHEMBL29358077SBUMIGFDXJIPLE-UHFFFAOYSA-N
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 67.5 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 144
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (2-Amino-4-Hydroxyethylaminoanisole) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
物理化学的性質
- 沸点
- 401.8 · 401.8±40.0 °C(Predicted)
- 比重(密度)
- 1 · 1+-.0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 酸解離定数(Pka)
- 14.68 · 14.68±0.10(Predicted)
- 化粧品成分の機能
- ヘアカラーリング
- LogP
- -1.506 · -1.506 (est)
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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2-[(3-amino-4-methoxyphenyl)amino]-
Ethanol, 2-(3-amino-4-methoxyphenyl)amino-: 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.
Other Safety InformationIMAP assessments - 2-Amino-4-hydroxyethylaminoanisole and its sulfate: Human health tier II assessment
Hazard Classes and CategoriesAcute toxicity - category 4
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that 2-amino-4-hydroxyethylaminoanisole and 2-amino-4-hydroxyethylaminoanisole sulfate are safe for use in oxidative hair dye formulations. Were the free base (2-amino-4-hydroxyethylaminoanisole) to be used in the future, the expectation is that it would be used at concentrations similar to the sulfate salt. The Expert Panel cautions that these ingredients should not be used in hair dye products in which N-nitroso compounds may be formed.
Safe for use in cosmetics, with qualifications
安全データ
- 注意喚起語
- 警告
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
用途と製造
UsesCIR ingredient: 2-Amino-4-Hydroxyethylaminoanisole
Household ProductsInformation on 1 consumer products that contain 2-Amino-4-Hydroxyethylaminoanisole in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
関連反応
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