Hydroxytyrosol

HCID 82755
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Substructure searchFind similar structures

Basic information

CAS
10597-60-1
Standard SMILES
OCCc1ccc(O)c(O)c1
InChIKey
JUUBCHWRXWPFFH-UHFFFAOYSA-N
Molecular formula
C8H10O3
Average molar mass
154.16 g/mol
Monoisotopic mass
154.06299418

Overview

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.

Names & identifiers

Preferred name
Hydroxytyrosol
IUPAC
4-(2-hydroxyethyl)benzene-1,2-diol
English name
Hydroxytyrosol
Molecular formula
C8H10O3
Molecular weight
154.16

Names & synonyms

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
Show more names
3,4-DIHYDROXYPHENYLETHYL ALCOHOLDopaolHydroxytyrosoDihydroxyphenylethanol
DTXCID7069942600-704-34-(3-hydroxypropyl)benzene-1,2-dioldopet3,4-Dihydroxyphenethyl Alcohol3-Hydroxytyrosol3,4-Dihydroxyphenethylalcohol1,2-Benzenediol, 4-(2-hydroxyethyl)-

Database identifiers

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

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

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

Physicochemical properties

Boiling point
355.4 · 355.4±27.0 °C(Predicted)
Density
1.321 · 1.321±0.06 g/cm3(Predicted)
refractive index
1.581 · 1.5810-1.5860
storage temp.
-20 °C · -20°C
solubility
Acetonitrile (Slightly), DMSO (Slightly), Ethyl Acetate (Sparingly), Methanol (Slightly)
pka
9.72 · 9.72±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Safety data

wgk
3
hs_code
29072990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

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.

Applications · 2 items

UsesHydroxy tyrosol is a tyrosol metabolite. It is also a strong anti-oxidant found in olive oil. It is used in beauty products and health care products, which can effectively enhance skin elasticity and moisturizing, and has the effect of anti-wrinkle and anti-aging.

General DescriptionHydroxytyrosol, 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.

Upstream & downstream products

Suppliers100 total

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]
Additional notes · 1 item

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.

Related reactions

2 records
New reaction record

Compound notes

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