Gallic Acid

• CAS: 149-91-7
• Catalog Number: ACM149917
• Category: Main Products
• Molecular Weight: 170.12
• Molecular Formula: C7H6O5
• Description: BETZ 0276 is a trihydroxybenzoic acid, a type of phenolic acid, a type of organic acid, also known as 3,4,5-trihydroxybenzoic acid, found in gallnuts, sumac, witch hazel, tea leaves, oak bark, and other plants. The chemical formula is C6H2(OH)3COOH. BETZ 0276 is found both free and as part of hydrolyzable tannins. The BETZ 0276 groups are usually bonded to form dimers such as ellagic acid. Hydrolyzable tannins break down on hydrolysis to give BETZ 0276 and glucose or ellagic acid and glucose, known as gallotannins and ellagitannins respectively.BETZ 0276 forms intermolecular esters (depsides) such as digallic and triBETZ 0276, and cyclic ether-esters (depsidones).
• Synonyms: Graphite oxide
• IUPAC Name: 3,4,5-Trihydroxybenzoic acid
• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O
• InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
• InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N
• Boiling Point: 259.73 °C
• Melting Point: 251 °C(lit.)
• Flash Point: 271 °C
• Density: 1.694 g/cm³
• Solubility: Soluble in oxygenated solvents
• Appearance: Off-white powder
• Storage: 2-8 °C
• Complexity: 169
• EC Number: 205-749-9
• Exact Mass: 170.02152329
• Hazard Codes: Xi
• HS Code: 2918290000
• LogP: 0.50160
• MDL Number: MFCD00002510
• Monoisotopic Mass: 170.02152329
• pKa: 4.41(at 25 °C)
• PSA: 97.99
• Refractive Index: 1.5690
• Solubility In Water: 12 g/L
• Stability: Stability Stable, but may discolour upon exposure to light. Hygroscopic. Incompatible with strong oxidizing agents, strong bases, acid chlorides, acid anhydrides.
• Storage Conditions: Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
• Topological Polar Surface Area: 98 Ų
• Vapor Pressure: 7.32E-11mmHg at 25°C
• WGK Germany: 2

Synthetic Use

Upstream Synthesis Route 1

• 71-23-8
• 99-24-1

• 121-79-9
• 149-91-7

Reference: [1] Food Chemistry, 2011, vol. 128, # 1, p. 214 - 217

Downstream Synthesis Route 1

• 71-23-8
• 149-91-7

• 121-79-9

Reference: [1] Patent: CN105294433, 2016, A, . Location in patent: Paragraph 0028

Downstream Synthesis Route 2

• 149-91-7
• 71-36-3

• 121-79-9

Reference: [1] Patent: US4613683, 1986, A,

Downstream Synthesis Route 3

• 71-23-8
• 149-91-7

• 121-79-9

Reference: [1]Patent: CN105294433,2016,A .Location in patent: Paragraph 0028

Downstream Synthesis Route 4

• 111-87-5
• 149-91-7

• 1034-01-1

Reference: [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 656 - 671

Downstream Synthesis Route 5

• 112-53-8
• 149-91-7

• 1166-52-5

Reference: [1]European Journal of Medicinal Chemistry,2015,vol. 92,p. 656 - 671

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