3-Methyl-4-Phenyl-3-Butenoic Acid
[CAS# 6052-53-5]

Identification

• Name: 3-Methyl-4-Phenyl-3-Butenoic Acid
• Synonyms: Sodium (E)-3-Methyl-4-Phenyl-But-3-Enoic Acid; Sodium 3-Methyl-4-Phenyl-3-Butenoate
• Molecular Formula: C₁₁H₁₂NaO₂
• Molecular Weight: 199.20
• CAS Registry Number: 6052-53-5 (19488-17-6)
• EINECS: 243-109-0
• SMILES: C1=C(/C=C(/CC(O)=O)C)C=CC=C1.[Na+]
• InChI: 1S/C11H12O2.Na/c1-9(8-11(12)13)7-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,12,13);/q;+1/b9-7+
• InChIKey: PQUXIHWTFMAFMT-BXTVWIJMSA-N

Properties

• Boiling point: 322.9°C at 760 mmHg (Cal.)
• Flash point: 220°C (Cal.)