Hydroxytyrosol - ≥95% , CAS No.10597-60-1

CAS: 10597-60-1 Cat. No.: H306005 Formula: C₈H₁₀O₃ Molecular Weight: 154.16 Beilstein Registry Number: 2208118 EC Number: 600-704-3

GRADE & PURITY ≥95%

Synonyms

dopet | HY-N0570 | AM20020163 | HYDROXYTYROSOL [INCI] | (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl- | 3,4-dihydroxy-1-benzeneethanol | 4-(2-Hydroxy-ethyl)-benzene-1,2-diol | 4-(2-hydroxyethyl)benzene-1,2-diol | NSC-758468 | QEU0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

dopet | HY-N0570 | AM20020163 | HYDROXYTYROSOL [INCI] | (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl- | 3,4-dihydroxy-1-benzeneethanol | 4-(2-Hydroxy-ethyl)-benzene-1,2-diol | 4-(2-hydroxyethyl)benzene-1,2-diol | NSC-758468 | QEU0

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Product Line

H306005-250mg

Names and Identifiers

Pubchem Sid

504755628

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755628

Canonical Smiles

C1=CC(=C(C=C1CCO)O)O

IUPAC Name

4-(2-hydroxyethyl)benzene-1,2-diol

InChIKey

JUUBCHWRXWPFFH-UHFFFAOYSA-N

INCHI

1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2

Isomeric SMILES

C1=CC(=C(C=C1CCO)O)O

WGK Germany

3

Molecular Weight

154.16

Beilstein

2208118

Reaxy-Rn

2208118

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols
• Alternative Parents: Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosol - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosols. These are organic aromatic compounds containing a phenethyl alcohol moiety that carries a hydroxyl group at the 4-position of the benzene group.
• External Descriptors: catechols - primary alcohol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

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HT-29 (80576 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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SH-SY5Y (11521 Activities)

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SK-BR-3 (5175 Activities)

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SW480 (6023 Activities)

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HeLa (62764 Activities)

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DG-75 (165 Activities)

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Associated Targets(non-human)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Salmonella enterica (1497 Activities)

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MDCK (10148 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.58
• Molecular Weight: 154.160 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10597-60-1, the molecular formula is C8H10O3, and the molecular weight is 154.16 g/mol. InChIKey JUUBCHWRXWPFFH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.