Hydroxytyrosol

HCID 82755CAS 10597-60-1
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Grundinformationen

Standard-SMILES
OCCc1ccc(O)c(O)c1
InChIKey
JUUBCHWRXWPFFH-UHFFFAOYSA-N
Summenformel
C8H10O3
Durchschnittliche Molmasse
154,16 g/mol
Monoisotopische Masse
154,06299418

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Hydroxytyrosol
IUPAC
4-(2-hydroxyethyl)benzene-1,2-diol
Englischer Name
Hydroxytyrosol
Summenformel
C8H10O3
Molmasse
154.16

Namen und Synonyme

Hydroxytyrosol10597-60-13,4-Dihydroxyphenylethanol4-(2-hydroxyethyl)benzene-1,2-diol2-(3,4-Dihydroxyphenyl)ethanol4-(2-hydroxyethyl)-1,2-BenzenediolHomoprotocatechuyl alcoholQEU0NE4O90CHEBI:68889DTXSID70147451RefChem:7895763,4-DHPEA
Weitere Namen anzeigen
3,4-DIHYDROXYPHENYLETHYL ALCOHOLDopaolHydroxytyrosoDihydroxyphenylethanol
DTXCID7069942600-704-34-(3-hydroxypropyl)benzene-1,2-dioldopet3,4-Dihydroxyphenethyl Alcohol3-Hydroxytyrosol3,4-Dihydroxyphenethylalcohol1,2-Benzenediol, 4-(2-hydroxyethyl)-

Datenbank-Bezeichner

CAS
10597-60-1
PubChem CID
82755
DTXSID
DTXSID70147451
ChEMBL
CHEMBL1950045
ChEBI
CHEBI:68889
UNII
QEU0NE4O90
EC Number
600-704-3
Nikkaji
J246.008D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,7
Polarare Oberfläche (TPSA)
60,7 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
LogP0.09
Physical DescriptionSolid
Collision Cross Section130.6 Ų [M-H]-

Physikochemische Eigenschaften

Siedepunkt
355.4 · 355.4±27.0 °C(Predicted)
Dichte
1.321 · 1.321±0.06 g/cm3(Predicted)
Brechungsindex
1.581 · 1.5810-1.5860
storage temp.
-20 °C · -20°C
Löslichkeit
Acetonitrile (Slightly), DMSO (Slightly), Ethyl Acetate (Sparingly), Methanol (Slightly)
pka
9.72 · 9.72±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Regulation (EC) No 258/1997

Status: Active Update: 22-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34494

Hazard Classes and CategoriesSkin Irrit. 2 (89.8%)

Sicherheitsdaten

wgk
3
hs_code
29072990
risk_code
36/37/38
hazard_code
Xi
safety_code
26
Speicherklasse
10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 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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