23531-69-3

Basic information

• Product Name: 2H-1-Benzopyran-6-yloxy, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
• CAS NO: 23531-69-3
• Molecular Formula: C29H49O2
• Molecular Weight: 429.707
• Mol File: 23531-69-3.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 2H-1-Benzopyran-6-yloxy, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-1-Benzopyran-6-yloxy, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-(23531-69-3)
• EPA Substance Registry System: 2H-1-Benzopyran-6-yloxy, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-(23531-69-3)

Safety Data

• Hazardous Substances Data: 23531-69-3(Hazardous Substances Data)

Upstream product

• 2525-38-4 2,6-di-tert-butyl-4-phenylphenoxyl 
• 59-02-9 d-α-Tocopherol 
• 3141-58-0 tert-butoxy radical 
• 59-02-9 Tocopherol 
• 16183-00-9 5-hexen-1-yl radical 
• 33574-06-0 (4-Methoxybenzoyl)oxyl radical 
• 20137-67-1 2,6-di-tert-butyl-4-methoxyphenoxyl radical 
• 6858-01-1 2,6-di-tert-butyl-4-methylphenoxy radical 

Downstream Products

• 6858-01-1 2,6-di-tert-butyl-4-methylphenoxy radical 
• 59-02-9 Tocopherol 
• 20137-67-1 2,6-di-tert-butyl-4-methoxyphenoxyl radical 
• 335199-67-2 α-tocopherol-o-quinonemethide 

Relevant articles and documents

Modeling the Co-Antioxidant Behavior of Monofunctional Phenols. Applications to Some Relevant Compounds

A study on the regeneration of α-tocopherol (vitamin E) by phenolic co-antioxidants in homogeneous hydrocarbon solution is reported. The behavior of some relevant phenols such as BHA, BHT, and trans-resveratrol appears to be nicely predicted by a model based on the knowledge of kinetic and thermochemical data concerning the various reactants. Despite its good reputation as an antioxidant, trans-resveratrol was found only moderately effective (kinh = 2.0 × 105 M-1 s -1 in chlorobenzene at 303 K) and unable to recycle vitamin E.

Absolute kinetics of hydrogen abstraction from α-tocopherol by several reactive species including an alkyl radical

Laser flash photolysis and competitive techniques have been employed to study the reactions of α-tocopherol with various radicals and ketone triplets in solution. For example benzophenone triplets abstract hydrogen with rate constants of 5.1 × 109 and 3.7 × 109 M-11 s-1 in benzene and benzene/1.3 M methanol. Similar near-diffusion-controlled values were obtained for several other ketone triplets, as well as tert-butoxyl and 4-methoxybenzoyloxyl radicals. Deuterium kinetic isotope effects are frequently very small, reflecting the expected lack of selectivity of fast reactions. The reactivity of the 5-hexenyl radical toward α-tocopherol was examined by studying the competition of this process with the radical cyclization to the cyclopentylmethyl radical. The value of (1.7 ± 0.2) × 106 M-1 s-1 (at 70 °C in benzene) for this hydrogen atom abstraction from α-tocopherol makes this process exceptionally fast in comparison with the limited available rate data for reactions of carbon-centered radicals with other phenols.