3-(4-Hydroxy-3,5-ditert-butyl-phenyl)propanoic acid
[CAS# 90804-34-5]

Identification

• Name: 3-(4-Hydroxy-3,5-ditert-butyl-phenyl)propanoic acid
• Synonyms: 3-(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Propanoic Acid; 3-(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Propionic Acid; Eu-0084642
• Molecular Formula: C₁₇H₂₆O₃
• Molecular Weight: 278.39
• CAS Registry Number: 90804-34-5
• SMILES: C1=C(CCC(O)=O)C=C(C(=C1C(C)(C)C)O)C(C)(C)C
• InChI: 1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)
• InChIKey: WPMYUUITDBHVQZ-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 172-175°C (Expl.)
• Boiling point: 364.3±37.0°C at 760 mmHg (Cal.)
• Flash point: 188.3±23.0°C (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Dorit Löschner, Thomas Rapp, Frank-Ullrich Schlosser, Ramona Schuster, Ernst Stottmeister and Sven Zander. Experience with the application of the draft European Standard prEN 15768 to the identification of leachable organic substances from materials in contact with drinking water by GC-MS, Anal. Methods, 2011, 3, 2547.