3,5-Di-tert-butyl-4-hydroxycinnamic acid

• CAS: 22014-01-3
• Catalog Number: ACM22014013
• Category: Other Products
• Molecular Weight: 276.4
• Molecular Formula: C₁₇H₂₄O₃
• Synonyms: 3-[4-Hydroxy-3,5-di(tert-butyl)phenyl]-2-propenoic acid
• IUPAC Name: (E)-3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)O
• InChI: InChI=1S/C17H24O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h7-10,20H,1-6H3,(H,18,19)/b8-7+
• InChI Key: CTYWXRDQWMRIIM-BQYQJAHWSA-N
• Boiling Point: 375 °C
• Melting Point: 193-196 °C
• Flash Point: 195 °C
• Density: 1.076 g/mL at 25 °C(lit.)
• Solubility: Soluble in water
• Exact Mass: 276.17254462
• Isomeric SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)O
• Monoisotopic Mass: 276.17254462
• Physical State: Solid
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 57.5 Ų