trans,trans-Muconic Acid

• Catalog Number: ACM3588178
• Product Name: trans,trans-Muconic Acid
• CAS: 3588-17-8
• Category: Heterocyclic Organic Compound
• Synonyms: (2E,4E)-Hexadienedioic acid
• IUPAC Name: (2E,4E)-Hexa-2,4-dienedioic acid
• Molecular Weight: 142.11
• Molecular Formula: C6H6O4
• Canonical SMILES: C(=CC(=O)O)C=CC(=O)O
• InChI: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
• InChI Key: TXXHDPDFNKHHGW-ZPUQHVIOSA-N
• Boiling Point: 320 °C(lit.)
• Melting Point: 290 °C(lit.)
• Flash Point: 176.9 °C
• Density: 1.1712 g/cm³
• Solubility: Insoluble in water
• Appearance: Crystalline powder
• Storage: Sealed in dry, room temperature
• Complexity: 168
• Condition To Avoid: Hygroscopic
• Exact Mass: 142.02660867
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Isomeric SMILES: C(=C/C(=O)O)\C=C\C(=O)O
• MDL Number: MFCD00002702
• Monoisotopic Mass: 142.02660867
• pKa: 3.77±0.10(Predicted)
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.4434
• Signal Word: Warning
• Topological Polar Surface Area: 74.6 Ų