Hydroxytyrosol

• CAS: 10597-60-1
• Catalog Number: ACM10597601
• Category: Inhibitors
• Molecular Weight: 154.16
• Molecular Formula: C8H10O3
• Description: Solid
• Synonyms: 3,4-Dihydroxyphenylethanol
• IUPAC Name: 4-(2-Hydroxyethyl)benzene-1,2-diol
• Canonical SMILES: C1=CC(=C(C=C1CCO)O)O
• InChI: InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
• InChI Key: JUUBCHWRXWPFFH-UHFFFAOYSA-N
• Boiling Point: 355.4±27.0 °C
• Density: 1.321±0.06 g/cm³
• Appearance: Solid
• Storage: -20 °C
• Complexity: 116
• Covalently-Bonded Unit Count: 1
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Monoisotopic Mass: 154.062994177
• pKa: 9.72±0.10(Predicted)
• Refractive Index: 1.5810-1.5860
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 60.7 Ų
• UNII: QEU0NE4O90
• XLogP3: -0.7

Custom Q&A

What is the molecular formula of Hydroxytyrosol?

The molecular formula of Hydroxytyrosol is C8H10O3.

What is the molecular weight of Hydroxytyrosol?

The molecular weight of Hydroxytyrosol is 154.16 g/mol.

What is the IUPAC name of Hydroxytyrosol?

The IUPAC name of Hydroxytyrosol is 4-(2-hydroxyethyl)benzene-1,2-diol.

What are the synonyms of Hydroxytyrosol?

The synonyms of Hydroxytyrosol include 10597-60-1, 3,4-Dihydroxyphenylethanol, and 4-(2-hydroxyethyl)benzene-1,2-diol.

What is the role of Hydroxytyrosol?

Hydroxytyrosol has a role as a metabolite, an antioxidant, and an antineoplastic agent.

Where is Hydroxytyrosol found?

Hydroxytyrosol is found in Olea europaea (olive tree), Teucrium polium, Syringa reticulata, and other organisms.

Has Hydroxytyrosol been used in trials for any specific condition?

Yes, Hydroxytyrosol has been used in trials studying the prevention of Breast Cancer.

What is the InChI code for Hydroxytyrosol?

The InChI code for Hydroxytyrosol is InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2.

How many hydrogen bond donor and acceptor counts does Hydroxytyrosol have?

Hydroxytyrosol has 3 hydrogen bond donor counts and 3 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 102-32-9

• 10597-60-1

Reference: [1]Tuck, Kellie L.; Tan, Hai-Wei; Hayball, Peter J.
[Journal of Agricultural and Food Chemistry, 2000, vol. 48, # 9, p. 4087 - 4090]

Upstream Synthesis Route 2

• 25379-88-8

• 10597-60-1

Reference: [1]Current Patent Assignee: PANZHIHUA UNIVERSITY - CN114195640, 2022, A
Location in patent: Paragraph 0057; 0072-0076; 0078; 0085-0086

Upstream Synthesis Route 3

• 61276-17-3
• 75-36-5

• 10597-60-1
• 3843-74-1

Reference: [1]Chemical and pharmaceutical bulletin,1984,vol. 32,p. 3009 - 3014

Downstream Synthesis Route 1

• 75-09-2
• 10597-60-1

• 6006-82-2

Reference: [1] European Journal of Medicinal Chemistry, 2016, vol. 119, p. 132 - 140

Downstream Synthesis Route 2

• 186581-53-3
• 10597-60-1

• 7417-21-2

Reference: [1] Gazzetta Chimica Italiana, 1960, vol. 90, p. 1449 - 1485
[2] Phytochemistry (Elsevier), 1990, vol. 29, # 9, p. 2905 - 2912

Downstream Synthesis Route 3

• 10597-60-1
• 77-78-1

• 7417-21-2

Reference: [1] Justus Liebigs Annalen der Chemie, 1949, vol. 563, p. 86,89

* For details of the synthesis route, please refer to the original source to ensure accuracy.