129167-75-5

Basic information

• Product Name: 3,4-di-t-butylbenzoic acid
• CAS NO: 129167-75-5
• Molecular Weight: 234.338
• Mol File: 129167-75-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3,4-di-t-butylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-di-t-butylbenzoic acid(129167-75-5)
• EPA Substance Registry System: 3,4-di-t-butylbenzoic acid(129167-75-5)

Safety Data

• Hazardous Substances Data: 129167-75-5(Hazardous Substances Data)

Upstream product

• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 129167-72-2 3-bromo-4-t-butylbenzyl alcohol 
• 129167-73-3 3-bromo-4-(tert-butyl)benzaldehyde 
• 129167-74-4 2-bromo-1-(tert-butyl)-4-methylbenzene 
• 14034-08-3 methyl 3-bromo-4-(tert-butyl)benzoate 
• 38473-89-1 3-bromo-4-(tert-butyl)benzoic acid 
• 103391-77-1 3,4-di-t-butyltoluene 

Relevant articles and documents

The Synthesis and Structure of 3,4-Di-t-butylbenzoic Acid

3,4-Di-t-butylbenzoic acid (1) was synthesized by a seven-step sequence from 4-t-butylbenzoic acid, and its structure was determined by X-ray diffraction and refined to a residual of 0.065 for 1403 independent observed reflections.The crystals are triclinic, P1, a 6.080(1), b 8.777(1), c 13.912(3) Angstroem, α 80.76(2), β 80.84(2), γ 75.62(2)deg.It is the only example of a simple ortho-di-t-butylbenzene whose structure has been determined.The benzene ring experiences some out-of-plane distortion but, in general, strain is relieved by in-plane bond stretching and angular distortions.