5118-31-0

Basic information

• Product Name: 4-Methylbenzoate
• Synonyms: 4-Methylbenzoate;4-Methylbenzoic acid anion;p-Methylbenzoate
• CAS NO: 5118-31-0
• Molecular Formula: C₈H₇O₂
• Molecular Weight: 0
• Mol File: 5118-31-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 150-153 °C(Press: 0.9 Torr)
• Appearance: /
• CAS DataBase Reference: 4-Methylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylbenzoate(5118-31-0)
• EPA Substance Registry System: 4-Methylbenzoate(5118-31-0)

Safety Data

• Hazardous Substances Data: 5118-31-0(Hazardous Substances Data)

Upstream product

• 619-55-6 para-methylbenzamide 
• 874-60-2 4-methyl-benzoyl chloride 
• 204691-94-1 N-(p-toluoyl)-7-azabicyclo[2.2.1]heptane 
• 59746-40-6 pyrrolidin-1-yl(p-tolyl)methanone 
• 51425-91-3 azetidin-1-yl(p-tolyl)methanone 
• 104-81-4 4-Methylbenzyl bromide 
• 1225274-61-2 1,3-bis-(2,6-diisopropylphenyl)-2-(4-methylbenzylidene)-2,3-dihydro-1H-imidazole 
• 149834-12-8 S-4-methylbenzoyl coenzyme A 
• 15023-67-3 4-nitrophenyl 4-methylbenzoate 
• 3229-70-7 phenolate 
• 99-94-5 p-Toluic acid 
• 14062-78-3 N,N-dimethyl-4-toluamide 
• 1900-85-2 phenyl p-methylbenzoate 

Downstream Products

• 99-94-5 p-Toluic acid 
• 3198-30-9 p-benzenedicarboxylate dianion 

Relevant articles and documents

Unexpected resistance to base-catalyzed hydrolysis of nitrogen pyramidal amides based on the 7-azabicyclic[2.2.1]heptane scaffold

Non-planar amides are usually transitional structures, that are involved in amide bond rotation and inversion of the nitrogen atom, but some ground-minimum non-planar amides have been reported. Non-planar amides are generally sensitive to water or other n

Using toluates as simple and versatile radical precursors

(Chemical Equation Presented) The viability of the toluate moiety as a radical precursor has been examined by studying deoxygenation and cyclization reactions.

Nucleophilic displacement at the benzoyl centre: A study of the change in geometry at the carbonyl carbon atom

The second-order rate constants for the reaction between hydroxide ion and phenoxide ion with 4-nitrophenyl esters of substituted benzoic acids in 10% acetonitrile-water (v/v) solution obey Hammett σ correlations. The values of the Hammett ρ of 1.67 (κArO) and 2.14 (κOH) are consistent with a large change in hybridization at the central carbon by comparison with the ρ value for a standard reaction where a full sp2 to sp3 change occurs. The transition state for the concerted reaction thus has a substantially tetrahedral geometry. The observation of the anti-Hammond effect whereby the ρ value for the hydroxide ion exceeds that of the less reactive phenoxide ion is consistent with a concerted, ANDN, mechanism for these reactions. A stepwise mechanism, AN + DN, is unlikely to yield a measurable break in the Hammett correlation for a change in the benzoyl substituent if the partitioning of the putative tetrahedral intermediate involves forward and reverse reactions with Hammett correlations possessing similar ρ values.