Antioxidant 168

• CAS: 31570-04-4
• Catalog Number: ACM31570044
• Category: Main Products
• Molecular Weight: 646.92
• Molecular Formula: C42H63O3P
• Synonyms: Phenol,2,4-bis(1,1-dimethylethyl,phosphite(3:1)
• Appearance: White solid
• Application: Precursor to a palladacyclic catalyst for Suzuki, Stille and Heck processes.; ; Ligand for Pd-catalyzed [3+2] intramolecular cycloaddition of alk-5-enylidenecyclopropanes.; ; Ligand for Pt-catalyzed intramolecular silaboration of alkenes.; ; Ligand for Ni-catalyzed aminocarbonylation of aryl halides.; ; Ligand for the Au-catalyzed [4+2] intramolecular cycloaddition of allene-dienes.; ; Rhodium-Catalyzed Allylic Substitution with an Acyl Anion Equivalent.

Case Study

Tris(2,4-di-tert-butylphenyl) Phosphite as an Organophosphite Antioxidant Additive for Evaluating Abiotic Degradation across Global Agricultural Soils

Reay, M.K., et al. (2025). Environmental Science and Pollution Research, 32, 30881-30898.

Tris(2,4-di-tert-butylphenyl) phosphite (AO168) serves as a model organophosphite antioxidant additive for investigating how contrasting soil properties control the degradation of plastic-derived contaminants in agricultural environments worldwide.
Experimental Protocol: AO168 was loaded onto quartz sand at 10 micrograms per gram, mixed with 19 grams of soil collected from six countries to achieve 0.5 micrograms per gram final concentration, and incubated at 19.4 degrees C with 30 percent moisture in the dark for 21 days. Additives were extracted with dichloromethane-acetone (1:1) and quantified by GC-FID and GC-QTOF-MS. The key degradation product, 2,4-di-tert-butyl-phenol (24DTP), was monitored alongside soil microbial biomass measured via phospholipid fatty acid analysis.
Performance Evaluation: AO168 degradation followed zero-order kinetics in all six soils and was not significantly correlated with any measured soil variable, including microbial biomass, soil carbon, pH, or nitrate concentration, confirming a predominant abiotic degradation mechanism via oxidation to the phosphate ester followed by hydrolysis. Degradation at 21 days ranged from 20.0 percent in Indian soil to 41.2 percent in Australian soil. The sole detected degradation product, 24DTP, increased in all soils after AO168 addition and was negatively correlated with remaining AO168 concentration. AO168 degraded substantially slower than the co-applied plasticizer and UV absorber in most soils.

Custom Q&A

What is the molecular formula of Tris(2,4-di-tert-butylphenyl) Phosphite?

The molecular formula is C42H63O3P.

What is the molecular weight of Tris(2,4-di-tert-butylphenyl) Phosphite?

The molecular weight is 646.9 g/mol.

What is the IUPAC name of Tris(2,4-di-tert-butylphenyl) Phosphite?

The IUPAC name is tris(2,4-ditert-butylphenyl) phosphite.

What is the InChI of Tris(2,4-di-tert-butylphenyl) Phosphite?

The InChI is InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3.

What is the InChIKey of Tris(2,4-di-tert-butylphenyl) Phosphite?

The InChIKey is JKIJEFPNVSHHEI-UHFFFAOYSA-N.

What is the Canonical SMILES of Tris(2,4-di-tert-butylphenyl) Phosphite?

The Canonical SMILES is CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C.

What is the CAS number of Tris(2,4-di-tert-butylphenyl) Phosphite?

The CAS number is 31570-04-4.

What is the molecular weight of Tris(2,4-di-tert-butylphenyl) Phosphite according to PubChem?

The molecular weight is 646.9 g/mol.

How many hydrogen bond donor counts does Tris(2,4-di-tert-butylphenyl) Phosphite have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does Tris(2,4-di-tert-butylphenyl) Phosphite have?

It has 12 rotatable bond counts.