Homogentisic Acid

• CAS: 451-13-8
• Catalog Number: ACM451138
• Category: Other Products
• Molecular Weight: 168.15
• Molecular Formula: C8H8O4
• Description: Homogentisic acid (2,5-dihydroxyphenylacetic acid) is a phenolic acid found in Arbutus unedo (strawberry-tree) honey. It is also present in the bacterial plant pathogen Xanthomonas campestris pv. phaseoli as well as in the yeast Yarrowia lipolytica where it is associated with the production of brown pigments.It is less commonly known as melanic acid, the name chosen by William Prout.
• Synonyms: Alcapton
• IUPAC Name: 2-(2,5-Dihydroxyphenyl)acetic acid
• Canonical SMILES: C1=CC(=C(C=C1O)CC(=O)O)O
• InChI: InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
• InChI Key: IGMNYECMUMZDDF-UHFFFAOYSA-N
• Boiling Point: 257.07 °C
• Melting Point: 150-152 °C(lit.)
• Flash Point: 233.6 °C
• Density: 1.3037 g/cm³
• Solubility: Soluble in methanol
• Appearance: Crystalline
• Storage: 2-8 °C
• Complexity: 168
• Exact Mass: 168.04225873
• Hazard Codes: Xi
• HS Code: 2918290000
• LogP: 0.72490
• MDL Number: MFCD00004324
• Monoisotopic Mass: 168.04225873
• pKa: 4.4(at 25 °C)
• PSA: 77.76
• Refractive Index: 1.5090
• Storage Conditions: 2-8ºC
• Topological Polar Surface Area: 77.8 Ų
• Vapor Pressure: 1.71E-08mmHg at 25°C
• WGK Germany: 3