기본 정보
- 표준 SMILES
OCCc1ccc(O)c(O)c1- InChIKey
JUUBCHWRXWPFFH-UHFFFAOYSA-N- 분자식
- C8H10O3
- 평균 분자량
- 154.16 g/mol
- 단동위원소 질량
- 154.06299418
개요
Hydroxytyrosol is a member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. It has a role as an antioxidant, a metabolite and an antineoplastic agent. It is a primary alcohol and a member of catechols. It is functionally related to a 2-(4-hydroxyphenyl)ethanol.
이름 및 식별자
- 우선 이름
- Hydroxytyrosol
- IUPAC
- 4-(2-hydroxyethyl)benzene-1,2-diol
- 현지명
- 하이드록시타이로솔
- 영어명
- Hydroxytyrosol
- 분자식
- C8H10O3
- 분자량
- 154.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
10597-60-1- PubChem CID
- 82755
- DTXSID
DTXSID70147451- ChEMBL
CHEMBL1950045- ChEBI
CHEBI:68889- UNII
- QEU0NE4O90
- EC Number
- 600-704-3
- Nikkaji
- J246.008D
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 355.4 · 355.4±27.0 °C(Predicted)
- 밀도
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- 굴절률
- 1.581 · 1.5810-1.5860
- 저장 조건
- -20 °C · -20°C
- 용해도
- 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.72 · 9.72±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 무색~황색 점착성 오일
- BRN
- 2208118 · 2208118
- 안정성
- 흡습성
- 주요 응용
- 음식 및 음료
- 화장품 원료 기능
- 피부의 멜라닌 생성을 줄입니다피부 컨디셔닝
- InChI
- InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
- InChIKey
- JUUBCHWRXWPFFH-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(CCO)C=C1O
- LogP
- 0.02 · 0.020 (est)
화학적 성질
Brown oil is derived from Olea europaea leaves and is soluble in methanol, DMSO, and other solvents but insoluble in petroleum ether, ether, and chloroform. The molecular structure of hydroxytyrosol is created by replacing the hydrogen atom on the methyl group of ethanol with catechol. It possesses an alcohol hydroxyl group in the chain of ethanol with a benzene ring, along with phenolic hydroxyl groups like other phenolic substances. Its antioxidant activity is closely linked to its structure.
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (89.8%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Regulation (EC) No 258/1997
Status: Active Update: 22-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34494
안전 데이터
- wgk
- 3
- HS 번호
- 29072990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
응용 분야
일반 설명Hydroxytyrosol, found in olives, is a potent antioxidant in our bodies. It is considered one of the most powerful antioxidants, with an oxygen radical absorption capacity of about 4,500,000 μmolTE/100g. This is 10 times greater than green tea and more than double the antioxidant capacity of CoQ10 and oak extract. Hydroxytyrosol is used in cardiovascular drugs, and has miraculous effects on the prevention and treatment of arteriosclerosis, hypertension, heart disease, cerebral hemorrhage, etc., and is superior to similar drugs. It can also Inhibits the proliferation rate of cancer cells and induces apoptosis of cancer cells.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Hydroxytyrosol is a member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. It has a role as a metabolite, an antioxidant and an antineoplastic agent. It is a member of catechols and a primary alcohol. It derives from a 2-(4-hydroxyphenyl)ethanol.
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