Aspergillic Acid
[CAS# 490-02-8]

Identification

• Name: Aspergillic Acid
• Synonyms: 1-Hydroxy-3-Isobutyl-6-Sec-Butyl-Pyrazin-2-One; 1-Hydroxy-3-Isobutyl-6-Sec-Butyl-2-Pyrazinone; Divk1c_006120
• Molecular Formula: C₁₂H₂₀N₂O₂
• Molecular Weight: 224.30
• CAS Registry Number: 490-02-8
• SMILES: C(C1=NC=C(N(C1=O)O)C(CC)C)C(C)C
• InChI: 1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3
• InChIKey: IUZCDJYHMMWBBE-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 336.3±25.0°C at 760 mmHg (Cal.)
• Flash point: 157.2±23.2°C (Cal.)