3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzenepropanoic Acid C7-9-Branched Alkyl Esters

CAS: 125643-61-0

Ref. TR-O277498

Product Information

• Name: 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzenepropanoic Acid C7-9-Branched Alkyl Esters
• Synonyms: 2-Ethylhexyl-3,5-Bis(Di-Tert-Butyl)-4-Hydroxybenzopropionate, 2-Ethylpentyl 3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)Propanoate, 3,5-Bis-(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid alkyl-(C7-C9-branched)ester, Benzenepropanoic acid, 3,5-bis (1,1 -dimethyl-ethyl)-4-hydroxy-,C7-C9 branched alkyl esters, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, C_7-9-branched alkyl esters, Irganox 1135, Octyl 3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)Propanoate, Octyl-Di-Tert-Butyl-4-Hydroxy-Hydro-Cinnamate, Primanox1135, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, C7-9-branched alkyl esters

Description

Applications Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate (cas# 125643-61-0) is an intermediate in synthesizing 7,9-Di-tert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione (D493755), an antioxidant naturally found in aerial parts of Gmelina asiatica Linn (Verbenaceae). It is also found in essential oils of some Stachys species from Mediterranean area. It is an impurity of Irganox used in the food packaging.
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);

• Brand: TRC

Chemical properties

• Molecular weight: 390.61
• Formula: C₂₅H₄₂O₃
• Color/Form: Colourless
• InChI: InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
• InChI key: InChIKey=CFXCGWWYIDZIMU-UHFFFAOYSA-N
• SMILES: CCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1