3,5-Bis(1,1-dimethylethyl)-4-hydroxy-3-hydroxy-2,2-bis(hydroxymethyl)propyl Benzenepropanoic Acid Ester

CAS: 26347-98-8

Ref. TR-B536540

Product Information

• Name: 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-3-hydroxy-2,2-bis(hydroxymethyl)propyl Benzenepropanoic Acid Ester
• Synonyms: Agidol 110
• Brand: TRC

Description

Applications 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-3-hydroxy-2,2-bis(hydroxymethyl)propyl Benzenepropanoic Acid Ester is a degradation compound of Irganox 1098 (A697523) used in the food packaging. Has low toxicity when orally administered in rats and showed no cumulative activity.
References Merlin, N., et al.: Pharmacogn. Res., 1, 152 (2009); Conforti, F., et al.: Food Chem., 116, 898 (2009), Riquet, A. et al.: Food Chem., 199, 59 (2016); Rashitova, G. S., et al.: Gigiena i Sanitariya, 6, 80 (2007)

Chemical properties

• Molecular weight: 396.5176
• Formula: C₂₂H₃₆O₆
• Color/Form: Neat
• InChI: InChI=1S/C22H36O6/c1-20(2,3)16-9-15(10-17(19(16)27)21(4,5)6)7-8-18(26)28-14-22(11-23,12-24)13-25/h9-10,23-25,27H,7-8,11-14H2,1-6H3
• InChI key: InChIKey=RQYISMPLEFNMLU-UHFFFAOYSA-N
• SMILES: CC(C)(C)c1cc(CCC(=O)OCC(CO)(CO)CO)cc(C(C)(C)C)c1O