Tyrosol (HCID 10393)

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 Å²
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 · 2건

138.71 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

138.2 Å² [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
색상: 미색부터 밝은 베이지까지
냄새: 100 %에서 · 100.00%에서. 온화한 달콤한 꽃 과일 향
냄새 유형: 꽃향기
수용성: 약간 용해됨
BRN: 1859884 · 1859884
Henry's Law Constant: 3.5 · 3.5×105 mol/(m3Pa) at 25℃, McFall et al. (2020)
주요 응용: 청소용품화장품환경향료 및 향음식 및 음료개인 위생 관리
화장품 원료 기능: 구강 관리피부 컨디셔닝 - 기타항산화제
InChI: 1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
InChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-N
SMILES: OCCc1ccc(O)cc1
LogP: 0.851 · 0.851 (est)
NIST: 4 · Benzeneethanol, 4-hydroxy-(501-94-0)
EPA: 4 · 4-Hydroxybenzeneethanol (501-94-0)

화학적 성질

off-white to light beige crystals or crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 4건

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
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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

하류 제품

2-(4-Benzyloxyphenyl)ethanol 4-[2-(시클로프로필메톡시)에틸]페놀 2-(4-하이드록시페닐)프로피온산 Methyl 4-hydroxyphenylacetate P-크레졸 3-bromo-4-hydroxybenzeneethanol 4-(2-Fluoroethyl)phenol(WXFC0726)4-[2-[메틸(2-페닐에틸)아미노]에틸]페놀 4-β-D-글루코피라노실옥시벤젠에탄올

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

西安久启生物科技有限公司18729366352 13186100227

추가 설명

정의ChEBI: A phenol substituted at position 4 by a 2-hydroxyethyl group.

연결된 노트

불러오는 중…

2-(4-히드록시페닐)에탄올

기본 정보

개요