5343-96-4

Basic information

• Product Name: Acetic acid 1,2-dimethylpropyl ester
• Synonyms: Acetic acid 1,2-dimethylpropyl ester;Acetic acid 3-methylbutan-2-yl ester
• CAS NO: 5343-96-4
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• Mol File: 5343-96-4.mol
• Article Data: 10

Chemical Properties

• Melting Point: -74.65°C (estimate)
• Boiling Point: 140.89°C (estimate)
• Flash Point: 17.595 °C
• Appearance: /
• Density: 0.8600
• Refractive Index: 1.3932
• CAS DataBase Reference: Acetic acid 1,2-dimethylpropyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid 1,2-dimethylpropyl ester(5343-96-4)
• EPA Substance Registry System: Acetic acid 1,2-dimethylpropyl ester(5343-96-4)

Safety Data

• Hazardous Substances Data: 5343-96-4(Hazardous Substances Data)

Usage

General Description

Acetic acid 1,2-dimethylpropyl ester, also known as isobutyl acetate, is a clear, colorless liquid with a fruity odor. It is commonly used as a solvent in the production of lacquers, thinners, and nail polish removers, as well as a flavoring agent in the food and beverage industry. This chemical is also utilized in the manufacturing of adhesives, textiles, and perfumes, and is considered to be relatively low in toxicity. Isobutyl acetate is flammable and should be handled and stored with care in a well-ventilated area, away from heat and sources of ignition.

InChI:InChI=1/C13H16N4O2S/c1-3-17-11(15-16-13(17)20)8-12(18)14-9-5-4-6-10(7-9)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,16,20)

Upstream product

• 598-75-4 3-methyl-2-butanol 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 758-12-3 deuteroacetic acid 
• 90886-07-0 C₃₂H₃₂N⁽¹⁺⁾*BF₄^(1-) 
• 1186-52-3 tetradeuterioacetic acid 
• 76085-62-6 acetyl 2,3-dimethylbutyryl peroxide 
• 64-19-7 acetic acid 
• 107-13-1 acrylonitrile 
• 97311-81-4 C₇H₁₃O₂ 
• 623-91-6 diethyl Fumarate 
• 108-10-1 4-methyl-2-pentanone 
• 513-35-9 2-methyl-but-2-ene 

Downstream Products

• 563-45-1 3-Methyl-1-butene 
• 513-35-9 2-methyl-but-2-ene 
• 56640-64-3 (+)(S)-3-acetoxy-2-methyl-butane 
• 598-75-4 (R)-3-methyl-2-butanol 

Relevant articles and documents

Direct catalytic anti-markovnikov addition of carboxylic acids to alkenes

A direct catalytic anti-Markovnikov addition of carboxylic acids to alkenes is reported. The catalyst system is comprised of the Fukuzumi acridinium photooxidant (1) and a substoichiometric quantity of a hydrogen-atom donor. Oxidizable olefins, such as styrenes, trisubstituted aliphatic alkenes, and enamides, can be employed along with a variety of carboxylic acids to afford the anti-Markovnikov addition adducts exclusively. A deuterium-labeling experiment lends insight to the potential mechanism.

Nonaromatic amidine derivatives as acylation catalysts

(Chemical Equation Presented) Catalytic activity of nonaromatic bicyclic amidines and bicyclic isothioureas in acylation reactions was found to be remarkably dependent on the sizes of both rings. DBN and especially its thia-analogue (THTP) have been identified as highly active acylation catalysts.

The Influence of Steric Effects on the Selectivity of Radical CC Bond Formation Reactions

Bulky substituents R1 and R2 at radical 5 decrease the rate of addition to diethyl fumarate to a larger extent than to methyl acrylate (Table 1).The comparison with H-abstraction, which is only slightly influenced by steric effects, shows that 5e (R2 = t-C4H9) reacts at least 235 times slower with diethyl fumarate than 5a (R2 = CH3) (Table 2).Therefore, the stereoselectivity of cyclic radicals 1 (n = 1,2) increases if the CC bond formation reaction is carried out with diethyl fumarate instead of methyl acrylate.