기본 정보
- CAS
94158-14-2- 표준 SMILES
Cl.OCCNc1ccc2c(c1)OCO2- InChIKey
LMONVTDNVNEAQG-UHFFFAOYSA-N- 분자식
- C9H11NO3.ClH
- 평균 분자량
- 217.65 g/mol
- 단동위원소 질량
- 217.0505709
이름 및 식별자
- 우선 이름
- Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride
- IUPAC
- 2-(1,3-benzodioxol-5-ylamino)ethanol;hydrochloride
- 현지명
- 하이드록시에틸-3,4-메틸렌다이옥시아닐린에이치씨엘
- 영어명
- N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride
- 분자식
- C9H12ClNO3
- 분자량
- 217.65
이름 및 동의어
94158-14-2N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride2-(1,3-Benzodioxol-5-ylamino)ethanol hydrochlorideHydroxyethyl-3,4-methylenedioxyaniline HClEthanol, 2-(1,3-benzodioxol-5-ylamino)-, hydrochloride8IRK9YBY3KCOLOREX MDOXEINECS 303-085-54-(2-HYDROXYETHYL)AMINO-1,2-METHYLENEDIOXYBENZENE HYDROCHLORIDEhydroxyethyl-3,4-methylenedioxyaniline hydrochlorideDTXSID20240825ETHANOL, 2-(1,3-BENZODIOXOL-5-YLAMINO)-, HYDROCHLORIDE (1:1)
이름 더 보기
하이드록시에틸-3,4-메틸렌다이옥시아닐린에이치씨엘하이드록시에틸-3,4-메틸렌다이옥시아닐린및그하이드로클로라이드하이드록시에틸-3,4-메틸렌다이옥시아닐린및그하이드로클로라이드(예:하이드록시에틸-3,4-메틸렌다이옥시아닐린하이드로클로라이드)하이드록시에틸-3,4-메틸렌다이옥시아닐린하이드로클로라이드N-(2-히드록시에틸)-3,4-메틸렌디옥시아닐린염산염hydroxyethyl-3,4-methylenedioxyanilinehclAdrenaline Impurity 992-(1,3-BENZODIOXOL-5-YLAMINO)-ETHANOL HCLN-(2-Hydroxyethyl)-3,4-methylenedioxyanilineN-(2-HYDROXYETHYL)-3,4-METHYLENEDIOXYANILINE HCLHYDROXYETHYL-3,4-METHYLENEDIOXYANILINEHYDROCHLORIDE
RefChem:789477DTXCID50163316HYDROXYETHYL-3,4-METHYLENEDIOXYANILINE HCL [INCI]2-(Benzo[d][1,3]dioxol-5-ylamino)ethanol hydrochloride2-(1,3-benzodioxol-5-ylamino)ethanol;hydrochlorideMFCD077792592-(Benzo[d][1,3]dioxol-5-ylamino)ethanolhydrochlorideUNII-8IRK9YBY3K
데이터베이스 식별자
- CAS
94158-14-2- PubChem CID
- 175592
- DTXSID
DTXSID20240825- UNII
- 8IRK9YBY3K
- EC Number
- 303-085-5
물성
구조 계산 물성
- 극성 표면적
- 50.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 165
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Hydroxyethyl-3,4-Methylenedioxyaniline HCl) -> CIR (Cosmetic Ingredient Review)
물리화학적 성질
- 밀도
- 1.427 at · 1.427 at 20℃
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- Solid:particulate/powder
- 수소이온지수(pH)
- 1.5 at · 1.5 at 20℃ and 408g/L
- 화장품 원료 기능
- 머리 염색
- InChI
- InChI=1S/C9H11NO3.ClH/c11-4-3-10-7-1-2-8-9(5-7)13-6-12-8;/h1-2,5,10-11H,3-4,6H2;1H
- InChIKey
- LMONVTDNVNEAQG-UHFFFAOYSA-N
- SMILES
- N(C1C=CC2OCOC=2C=1)CCO.Cl
- LogP
- 0.412 at · 0.412 at 36℃ and pH4.65
- 표면장력
- 72.7 mN/m · 72.7mN/m at 1g/L and 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (46.3%): 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, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 6 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-(1,3-benzodioxol-5-ylamino)-, hydrochloride
REACH registered substance: 2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride (EC: 303-085-5)
Ethanol, 2-(1,3-benzodioxol-5-ylamino)-, hydrochloride: 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 - Ethanol, 2-(1,3-benzodioxol-5-ylamino)-, hydrochloride: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (46.3%)
Acute toxicity - category 4
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- 신호 어
화학 및 산업
용도 및 제조
UsesCIR ingredient: Hydroxyethyl-3,4-Methylenedioxyaniline HCl
Household ProductsInformation on 19 consumer products that contain Hydroxyethyl-3,4-Methylenedioxyaniline Hcl in the following categories is provided:
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