16225-26-6

Basic information

• Product Name: 3,5-DI-TERT-BUTYLBENZOIC ACID
• Synonyms: 3,5-DI-TERT-BUTYLBENZOIC ACID;BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-;RARECHEM AL BE 0560;Dibutylbenzoicacid;3,5-bis(tert-butyl)benzoic acid;5-DI-TERT-BUTYLBENZOIC ACID;3,5-Di-tert-butylbenzoic acid 99%
• CAS NO: 16225-26-6
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33
• EINECS: 240-350-3
• Product Categories: Benzoic acid;C13 to C42+;Carbonyl Compounds;Carboxylic Acids
• Mol File: 16225-26-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 173-175 °C(lit.)
• Boiling Point: 361.43°C (estimate)
• Flash Point: 155.1 °C
• Appearance: White to off-white/Powder or Crystalline Powder
• Density: 0.9725 (estimate)
• Vapor Pressure: 0.000199mmHg at 25°C
• Refractive Index: 1.5283 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.40±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 981248
• CAS DataBase Reference: 3,5-DI-TERT-BUTYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)
• EPA Substance Registry System: 3,5-DI-TERT-BUTYLBENZOIC ACID(16225-26-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36
• WGK Germany: 3
• Hazardous Substances Data: 16225-26-6(Hazardous Substances Data)

Usage

Chemical Properties

White powder

Uses

3,5-Di-tert-butylbenzoic acid is used in the synthesis of 5,5-di-tert-butylanilinium sulfate.

InChI:InChI=1/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)

Upstream product

• 72215-86-2 1-(3,5-Di-tert-butylphenyl)-2-methylpropene 
• 124-38-9 carbon dioxide 
• 1014-60-4 1,3-di-tert-butylbenzene 
• 14377-33-4 3,5-di-tert-butylbenzoyl chloride 
• 108-88-3 toluene 
• 1075-38-3 m-t-butyltoluene 
• 1460-02-2 1,3,5-Tri-tert-butylbenzene 
• 123-91-1 1,4-dioxane 
• 1756-31-6 1-(3,5-di-tert-butylphenyl)ethanone 
• 7732-18-5 water 
• 7553-56-2 iodine 
• 64277-87-8 methyl 3,5-di(tert-butyl)benzoate 
• 22385-77-9 1-bromo-3,5-di-tert-butylbenzene 
• 15181-11-0 3, 5-di-tert-butyltoluene 

Downstream Products

• 77387-57-6 3,5-bis(1,1-dimethylethyl)benzenemethanol 
• 64277-87-8 methyl 3,5-di(tert-butyl)benzoate 
• 60772-76-1 2-(3,5-di-tert-butyl-phenyl)-oxazolo[4,5-b]pyridine 
• 1233488-05-5 N-[2-(4-aminophenyl)ethyl]-3,5-di-tert-butyl-benzamide 
• 1248682-72-5 ((1R,3S)-5-iodo-6,8-dimethoxy-1-methyl-2-tosyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl 3,5-di-tert-butylbenzoate 
• 1448874-87-0 [5,15-bis(pentafluorophenyl)-10,20-bis(4-ethynylphenyl)porphyrinato]aluminum(III)(3,5-di-tert-butyl benzoate) 
• 62938-08-3 3,5-di-tert-butylbenzyl bromide 
• 1215115-64-2 (17β)-17-[3,5-bis(tert-butyl)benzyl]-estra-1(10),2,4-triene-3,17-diol 
• 1334336-42-3 C₃₉H₆₀O₂Si 
• 1756-31-6 1-(3,5-di-tert-butylphenyl)ethanone 
• 1022171-52-3 1-N'-[(3,5-di-tert-butylbenzoyl)oxy]-2-(4-nitrophenyl)ethanimidamide 
• 1214261-39-8 3,5-bis(1,1-dimethylethyl)-N-(7-octen-1-yl)benzamide 
• 1022171-57-8 3,5-di-tert-butyl-N'-[3-(4-nitrophenyl)propanoyl]benzohydrazide 
• 1075191-18-2 methyl (S)-2-(3,5-di-tert-butylbenzamido)-3-(1-methyl-1H-imidazol-5-yl)propanoate 

Relevant articles and documents

Isoselective Lactide Ring Opening Polymerisation using [2]Rotaxane Catalysts

Polylactide (PLA) is a fully biodegradable and recyclable plastic, produced from a bio-derived monomer: it is a circular economy plastic. Its properties depend upon its stereochemistry and isotactic PLA shows superior thermal-mechanical performances. Here, a new means to control tacticity by exploiting rotaxane conformational dynamism is described. Dynamic achiral [2]rotaxanes can show high isoselectivity (Pi=0.8, 298 K) without requiring any chiral additives and enchain by a chain end control mechanism. The organocatalytic dynamic stereoselectivity is likely applicable to other small-molecule and polymerization catalyses.

3,5-Di-tert-butylthiobenzoyltriphenylsilane: a versatile spin trapping agent

3,5-Di-tert-butylthiobenzoyltriphenylsilane (DBTBTPS) has been synthesized and tested as a spin trapping agent for electron spin resonance studies.Upon reaction with a variety of radicals of different nature inside the cavity of the ESR spectrometer.DBTBTPS leads to the observation of rather persistent spectra which in nearly all cases allow the unambiguous identification of the trapped species, DBTBTPS is somewhat less stable than thiobenzoyltriphenylsilane (TBTPS), the unsubstituted thiobenzoyltriphenylsilane; yet, as it affords spin adducts whose spectra are characterized by a smaller number of lines, it may prove more useful than TBTPS itself when dealing with radicals leading to species with a large number of magnetically active nuclei interacting with the unpaired electron.

FURTHER STUDIES ON THE EXTENDED HAMMETT EQUATION COMPRISING THE HYDROPHOBIC CONSTANT: REACTIVITY DATA FOR BENZOIC ACIDS, ARYLACETIC ACIDS, β-ARYLPROPIONIC ACIDS, trans- AND cis-CINNAMIC ACIDS, METHYL BENZOATES; DISSOCIATION CONSTANTS, DDM REACTION AND ALKALINE HYDROLYSIS IN VARIOUS W...

The extended Hammett equation Δ = ρ? + h? comprising the hydrophobic constant ? is found to be effective in the title compounds and reactivities in various solvent mixtures.In 32 vol.percent tert-butanol-water hm decreases in the order ArCOOMe (-0.25), cis-ArCH=CHCOOH (-0.18), ArCOOH and ArCH2COOH (-0.16), ArCH2CH2COOH and trans-ArCH=CHCOOH (-0.07).For ArCOOH, mixtures like 40-60percent methanol, 50percent ethanol, 50percent acetone and 50percent dioxane give similar hm values of circa -0.05.For ArCH2COOH the effects of 3-iodo and 4-iodo substituents are acid-weakening in32percent tert-butanol.The consequences of the h? term for ρ, ?, and the averaging of ? values, are discussed.