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3,4-Dihydroxyphenylethanol structure

3,4-Dihydroxyphenylethanol

Hydroxy tyrosol is a tyrosol (T947800) metabolite. It is also a strong anti-oxidant found in olive oil.
 
1. Names and Identifiers
1.1 Name
3,4-Dihydroxyphenylethanol
1.2 Synonyms
1-(2-Hydroxyethyl)-3,4-dihydroxybenzene; 1,2-Benzenediol, 4-(2-hydroxyethyl)-; 2-(3,4-DIHYDROXYPHENYL)ETHANOL; 2-(3,4-DIHYDROXYPHENYL)ETHYL ALCOHOL; 3,4-DHPEA; 3,4-Dihydroxybenzeneethanol; 3,4-DIHYDROXYPHENETHYL ALCOHOL; 3,4-DIHYDROXYPHENYLETHANOL; 3,4-DIHYDROXYPHENYLETHYL ALCOHOL; 3,4-Dihydroxy-β-phenethyl alcohol; 3-HYDROXYTYROSOL; 4-(2-HYDROXYETHYL)-1,2-BENZENEDIOL; Ba 2774; Homoprotocatechuyl alcohol; Hydroxytyrosol; Phenethyl alcohol, 3,4-dihydroxy-; β-(3,4-Dihydroxyphenyl)ethanol; β-(3,4-Dihydroxyphenyl)ethyl alcohol;
1.3 CAS No.
10597-60-1
1.4 CID
82755
1.5 EINECS
600-704-3
1.6 Molecular Formula
C8H10O3
1.7 Inchi
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
1.8 InChkey
JUUBCHWRXWPFFH-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=C(C=C1CCO)O)O
1.10 Isomers Smiles
C1=CC(=C(C=C1CCO)O)O
2. Properties
2.1 Appearance
Solid
2.2 Chemical Properties
Brown Oil
2.3 Physical
Solid
2.4 pKa
9.72±0.10(Predicted)
2.5 Water Solubility
2.716e+005 mg/L @ 25 °C (est)
2.6 StorageTemp
Refrigerator
3. Use and Manufacturing
3.1 Definition
ChEBI: 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. 3,4-Dihydroxyphenylethanol Preparation Products And Raw materials Raw materials
3.2 Description

Hydroxytyrosol (DOPET) is a phenolic compound drawn from the olive tree and its leaves with anti-oxidant, anti-atherogenic, anti-thrombotic, antimicrobial, anti-inflammatory and anti-tumour effects[1][2].


Solid


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.|Hydroxytyrosol has been used in trials studying the prevention of Breast Cancer.|Hydroxytyrosol is a phenolic phytochemical naturally occurring in extra virgin olive oil, with potential antioxidant, anti-inflammatory and cancer preventive activities. Although the mechanisms of action through which hydroxytyrosol exerts its effects have yet to be fully determined, this agent affects the expression of various components of the inflammatory response, possibly through the modulation of the nuclear factor-kappa B (NF-kB) pathway. The effects include the modulation of pro-inflammatory cytokines, such as the inhibition of interleukin-1alpha (IL-1a), IL-1beta, IL-6, IL-12, and tumor necrosis factor-alpha (TNF-a); increased secretion of the anti-inflammatory cytokine IL-10; inhibition of the production of certain chemokines, such as C-X-C motif chemokine ligand 10 (CXCL10/IP-10), C-C motif chemokine ligand 2 (CCL2/MCP-1), and macrophage inflammatory protein-1beta (CCL4/MIP-1b); and inhibition of the expression of the enzymes inducible nitric oxide synthase (iNOS/NOS2) and prostaglandin E2 synthase (PGES), which prevent the production of nitric oxide (NO) and prostaglandin E (PGE2), respectively. In addition, hydroxytyrosol is able to regulate the expression of other genes involved in the regulation of tumor cell proliferation, such as extracellular signal-regulated and cyclin-dependent kinases. Also, hydroxytyrosol scavenges free radicals and prevents oxidative DNA damage. This induces apoptosis and inhibits proliferation in susceptible cancer cells.

3.3 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 29 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H315 (93.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (93.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (82.76%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
3.4 Usage
Hydroxy tyrosol is a tyrosol (T947800) metabolite. It is also a strong anti-oxidant found in olive oil.
4. Safety and Handling
4.1 Safety

Hazard Codes:Xi?

4.2 Specification

?3,4-Dihydroxyphenylethanol , its cas register number is 10597-60-1. It also can be called 2-(3,4-Dihydroxyphenyl)ethanol ; beta-3,4-Dihydroxyphenylethyl alcohol ; and 1,2-Benzenediol, 4-(2-hydroxyethyl)- . 3,4-Dihydroxyphenylethanol (CAS NO.10597-60-1) is considered one of the most powerful anti-oxidants . Its oxygen radical absorbance capacity is 40,000 umolTE/g.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Synthesis Route
10597-60-1Total: 42 Synthesis Route
 
97-53-0
97-53-0 268 Suppliers
 
10597-60-1
10597-60-1 267 Suppliers
 
59-92-7
59-92-7 427 Suppliers
 
10597-60-1
10597-60-1 267 Suppliers
7. Precursor and Product
precursor:
product:
8. Computed Properties
9.Other Information
Chemical Properties
Brown Oil
Uses
Tyrosol (T947800) metabolite.
Definition
ChEBI: 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.
Collision Cross Section
130.6 ?2 [M-H]-
Mesh
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. (See all compounds classified as Platelet Aggregation Inhibitors.)|Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)|Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)
Mesh Entry Terms
2-(3,4-dihydroxyphenyl)ethanol
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11. Related Questions
How is 3,4-Dihydroxyphenylethanol Obtained and What Are Its Effects?3,4-Dihydroxyphenylethanol (Hydroxytyrosol) is a polyphenolic compound naturally found in olive tree fruits and olive oil, with important applications in the pharmaceutical field. So, how is 3,4-Dihyd..
What are the properties and physiological effects of 3,4-Dihydroxyphenylethanol?3,4-Dihydroxyphenylethanol, also known as 3,4-DHPEA, is a natural polyphenolic compound with strong antioxidant activity. It is mainly found in the form of esters in the fruits and leaves of olives. 3..
What is 3,4-Dihydroxyphenylethanol and its Benefits? Chemical Properties 3,4-Dihydroxyphenylethanol, also known as Hydroxytyrosol, is a phenylethanol derivative and a plant chemical compound found in olive oil and olive leaves. It is a hydroxyphenol co..
What is Hydroxytyrosol and Its Benefits?Title: What is Hydroxytyrosol and Its Benefits? Article: Hydroxytyrosol, a versatile compound in various forms Hydroxytyrosol, a compound known for its antioxidant properties, exists in different form..
 
 
 
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