2-(4-히드록시페닐)에탄올
Tyrosol
기본 정보
- CAS
501-94-0- 표준 SMILES
OCCc1ccc(O)cc1- InChIKey
YCCILVSKPBXVIP-UHFFFAOYSA-N- 분자식
- C8H10O2
- 평균 분자량
- 138.16 g/mol
- 단동위원소 질량
- 138.06807956
개요
2-(4-hydroxyphenyl)ethanol is a phenol substituted at position 4 by a 2-hydroxyethyl group. It has a role as a geroprotector, an antioxidant, a cardiovascular drug, an anti-arrhythmia drug, a protective agent, a plant metabolite and a fungal metabolite. It is functionally related to a 2-phenylethanol.
이름 및 식별자
- 우선 이름
- Tyrosol
- IUPAC
- 4-(2-hydroxyethyl)phenol
- 현지명
- 2-(4-히드록시페닐)에탄올
- 영어명
- 4-Hydroxyphenethyl alcohol
- 분자식
- C8H10O2
- 분자량
- 138.16
이름 및 동의어
Tyrosol2-(4-Hydroxyphenyl)ethanol501-94-04-Hydroxyphenethyl alcohol4-(2-Hydroxyethyl)phenolp-Hydroxyphenethyl alcohol4-Hydroxybenzeneethanol4-HydroxyphenylethanolBenzeneethanol, 4-hydroxy-p-Tyrosolp-hydroxyphenylethanol1AK4MU3SNX
이름 더 보기
2-(4-히드록시페닐)에탄올4-하이드록시페펜에틸 알코올p-Hydroxyphenylethyl alcohol4-Hydroxyphenyl-2-ethanolPHEP
NSC-59876beta-(4-Hydroxyphenyl)ethanolCHEBI:1879DTXSID8060111n-tyrosolpara-hydroxyphenylethanolRefChem:50710DTXCID7040780
데이터베이스 식별자
- CAS
501-94-0- PubChem CID
- 10393
- DTXSID
DTXSID8060111- ChEMBL
CHEMBL53566- ChEBI
CHEBI:1879- UNII
- 1AK4MU3SNX
- EC Number
- 207-930-8
- Nikkaji
- J68J
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 85.3
실험 및 물리화학적 성질
LogP0.69
Flavoring AgentsEU Flavoring substances
Boiling Point308.00 to 311.00 °C. @ 760.00 mm Hg
Melting Point90 °C
Physical DescriptionSolid
Collision Cross Section
138.71 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
138.2 Ų [M-H]-
물리화학적 성질
- 녹는점
- 89 · 89-92 °C(lit.)
- 끓는 점
- 195 °C · 195°C (18 mmHg)
- 밀도
- 1.0742 · 1.0742 (rough estimate)
- 굴절률
- 1.559 · 1.5590 (estimate)
- 인화점
- 139 °C/1mm · 139°C/1mm
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 124 g/L · 124g/L
- 산도 계수 (pKa)
- 10.17 · 10.17±0.13(Predicted)
- 물리적 상태
- 결정 또는 결정성 분말
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (95.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzeneethanol, 4-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 25-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19342
Benzeneethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (95.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29072900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25-36
- 기존화학 물질
- KE-20539
- F 고인화성물질
- 10
- 위험 참고 사항
- Irritant
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Tissue LocationsProstate
용도 및 제조
General Manufacturing InformationBenzeneethanol, 4-hydroxy-: ACTIVE
응용 분야
용도Phenolic antioxidant.
일반 설명2-(4-Hydroxyphenyl)ethanol (4-Hydroxyphenethyl alcohol) is a phenolic alcohol commonly present in olive mill wastewater.
상·하류 제품 정보
상류 원료
관련 반응
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