(E,E)-2,5-Dimethyl-2,4-Hexadienedioicacid
[CAS# 20514-41-4]

Identification

• Name: (E,E)-2,5-Dimethyl-2,4-Hexadienedioicacid
• Synonyms: (2E,4E)-2,5-Dimethylhexa-2,4-Dienedioic Acid; .Alpha.,.Alpha.'-Dimethylmuconic Acid; Nsc115410
• Molecular Formula: C₈H₁₀O₄
• Molecular Weight: 170.16
• CAS Registry Number: 20514-41-4
• SMILES: C\C(=C/C=C(C(=O)O)\C)C(=O)O
• InChI: 1S/C8H10O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/b5-3+,6-4+
• InChIKey: HVMNFKUBOVSQCO-GGWOSOGESA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 220-222°C (Expl.)
• Boiling point: 351.0±15.0°C at 760 mmHg (Cal.)
• Flash point: 180.3±16.9°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Manza B. J. AtkinsonThese authors contributed equally to the manuscript., Anatoliy N. Sokolov, Dejan-Krešimir Bučar, S. V. Santhana Mariappan, Martin T. Mwangi, Michael C. Tiedman and Leonard R. MacGillivray. Applications of hydrogen-bond-acceptor templates to direct ‘in-phase’ reactivity of a diene diacid in the solid state, Photochem. Photobiol. Sci., 2011, 10, 1384.