Itaconic acid

• Catalog Number: ACM-MO-97654
• Product Name: Itaconic acid
• CAS: 97-65-4
• Category: Heterocyclic Organic Compound
• Synonyms: Butanedioic acid, 2-methylene-
• IUPAC Name: 2-Methylidenebutanedioic acid
• Molecular Weight: 130.1 g/mol
• Molecular Formula: C5H6O4
• Canonical SMILES: C=C(CC(=O)O)C(=O)O
• InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
• InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N
• Boiling Point: 158-160 °C at 12 Torr
• Melting Point: 162-164 °C (dec.)
• Flash Point: 268 °C
• Density: 1.573 g/mL at 25 °C(lit.)
• Solubility: Soluble in water, acetone, methanol, hexane, ethanol, slightly soluble in benzene, chloroform, carbon disulfide, petroleum ether
• Appearance: White to Off-White Solid
• Storage: Store at -20 °C under inert atmosphere
• Complexity: 158
• Exact Mass: 130.02660867
• Hazard Statements: Xi
• Monoisotopic Mass: 130.02660867
• pKa: 3.85(at 25 °C)
• Refractive Index: 1.4980
• Safety Description: 26-36
• SpecificGravity: 1.632
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 74.6 Ų