2-아미노-4-하이드록시에틸아미노아니솔설페이트
2-Amino-4-((2-hydroxyethyl)amino)anisole sulfate
기본 정보
- CAS
83763-48-8- 표준 SMILES
COc1ccc(NCCO)cc1N.O=S(=O)(O)O- InChIKey
GWHLYFOWAINYAH-UHFFFAOYSA-N- 분자식
- C9H14N2O2.H2O4S
- 평균 분자량
- 280.3 g/mol
- 단동위원소 질량
- 280.07290741
개요
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.
이름 및 식별자
- 우선 이름
- 2-Amino-4-((2-hydroxyethyl)amino)anisole sulfate
- IUPAC
- 2-(3-amino-4-methoxyanilino)ethanol;sulfuric acid
- 현지명
- 2-아미노-4-하이드록시에틸아미노아니솔설페이트
- 영어명
- 5-(2-Hydroxyethylamino)-2-methoxylaniline sulfate
- 분자식
- C9H16N2O6S
- 분자량
- 280.3
이름 및 동의어
83763-48-82-Amino-4-hydroxyethylaminoanisole sulfatejarocol ahea2-((3-Amino-4-methoxyphenyl)amino)ethanol sulfateCOVASTYLE AHEASDTXSID308924552-Amino-4-[(2-hydroxyethyl)amino]anisole SulfateUM91A54Z8G2-Amino-4-((2-hydroxyethyl)amino)anisole sulfateETHANOL, 2-((3-AMINO-4-METHOXYPHENYL)AMINO)-, SULFATE (1:1)ETHANOL, 2-((3-AMINO-4-METHOXYPHENYL)AMINO)-, SULFATE (1:1) (SALT)RefChem:85206
이름 더 보기
2-아미노-4-하이드록시에틸아미노아니솔설페이트5-(2-하이드록시에틸아미노)-2-메톡실아닐린황산염Blue ACRodol 4BXNLEHMANN BLUE5-(2-HydroxyethylamiAdrenaline Impurity 952-AMINO-4-(2-HYDROXYETHYLAMINO)ANISOLE2-Amino-4-N-(β-hydroxyethyl)aminobenzene2-Amino-4-Hdroxyethylaminoanisole Sulfate
DTXCID201079640280-734-85-(2-Hydroxyethylamino)-2-methoxylaniline sulfate2-Amino-4-hydroxyethylamino anisole sulfateMFCD004670952-(3-amino-4-methoxyanilino)ethanol;sulfuric acidAC-82942-[(3-amino-4-methoxyphenyl)amino]ethan-1-ol; sulfuric acid
물성
구조 계산 물성
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (2-Amino-4-Hydroxyethylaminoanisole Sulfate) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
물리화학적 성질
- 녹는점
- 150 · 150-154℃
- 밀도
- 1.541 · 1.541[at 20℃]
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올(약간 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 회색에서 매우 어두운 회색까지
- 수용성
- 81.9 g/L · 81.9g/L at 20℃
- 안정성
- 흡습성
- 화장품 원료 기능
- 머리 염색
- InChI
- InChI=1S/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)
- InChIKey
- GWHLYFOWAINYAH-UHFFFAOYSA-N
- SMILES
- C1(NCCO)=CC=C(OC)C(N)=C1.S(=O)(=O)(O)O
- LogP
- 0.59 at · 0.59 at 20℃
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Ethanol, 2-[(3-amino-4-methoxyphenyl)amino]-, sulfate (1:1)
REACH registered substance: (3-ammonio-4-methoxyphenyl)(2-hydroxyethyl)ammonium sulphate (EC: 280-734-8)
Ethanol, 2-(3-amino-4-methoxyphenyl)amino-, sulfate (1:1) (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.
Other Safety InformationIMAP assessments - 2-Amino-4-hydroxyethylaminoanisole and its sulfate: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (98.6%)
Acute toxicity - category 4
독성 정보
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.
화학 및 산업
용도 및 제조
UsesCIR ingredient: 2-Amino-4-Hydroxyethylaminoanisole Sulfate
Household ProductsInformation on 10 consumer products that contain 2-Amino-4-hydroxyethylaminoanisole sulfate in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
관련 반응
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