39520-25-7

Basic information

• Product Name: DIMETHYL TERT-BUTYLMALONATE
• Synonyms: DIMETHYL TERT-BUTYLMALONATE;DIMETHYL 2-(TERT-BUTYL)MALONATE;Propanedioic acid,2-(1,1-dimethylethyl)-, 1,3-dimethyl ester;Dimethyl 2-(tert-butyl)
• CAS NO: 39520-25-7
• Molecular Formula: C9H16O4
• Molecular Weight: 188.22
• EINECS: 604-604-1
• Mol File: 39520-25-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 190℃
• Flash Point: 79℃
• Appearance: /
• Density: 1.020
• Vapor Pressure: 0.558mmHg at 25°C
• Refractive Index: 1.4280
• Storage Temp.: 2-8°C
• CAS DataBase Reference: DIMETHYL TERT-BUTYLMALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL TERT-BUTYLMALONATE(39520-25-7)
• EPA Substance Registry System: DIMETHYL TERT-BUTYLMALONATE(39520-25-7)

Safety Data

• Hazardous Substances Data: 39520-25-7(Hazardous Substances Data)

Usage

General Description

DIMETHYL TERT-BUTYLMALONATE is a chemical compound with the molecular formula C9H16O4. It is a clear, colorless liquid that is often used as a flavoring ingredient in the food industry. It is also used in the synthesis of pharmaceuticals and agrochemicals, as well as in the production of fragrances and perfumes. DIMETHYL TERT-BUTYLMALONATE has a fruity aroma and is commonly found in the formulation of cosmetic products. It is considered to be relatively safe for use in these applications, but should be handled with care due to its flammability and potential for skin and eye irritation.

InChI:InChI=1/C9H16O4/c1-9(2,3)6(7(10)12-4)8(11)13-5/h6H,1-5H3

Upstream product

• 507-20-0 tertiary butyl chloride 
• 108-59-8 malonic acid dimethyl ester 
• 917-64-6 methyl magnesium iodide 
• 22035-53-6 dimethyl isopropylidenemalonate 
• 67-56-1 methanol 
• 103495-92-7 tert-Butylmalonsaeure-monomethylester-chlorid 

Downstream Products

• 131837-13-3 2-ethoxymethyl-3,3-dimethylbutanoic acid ethyl ester 

Relevant articles and documents

METHOD OF PRODUCING 3-ETHOXY-2-TERT-BUTYL ALKYL PROPIONATE

PROBLEM TO BE SOLVED: To provide a novel production method of 3-ethoxy-2-tert-butyl alkyl propionate used for the production of an olefin polymerization solid catalyst. SOLUTION: A 2-ethoxy methyl malonic acid diester derivative represented by formula (1) (where R1 and R2 represent a 1-4C alkyl group) is reacted in the presence of a base. COPYRIGHT: (C)2015,JPO&INPIT

Chemistry of Cumulenes, 6. Syntheses and Reactions of 1-H-Allene-1,3-dicarboxylic Acid Monoesters

The title compounds 5a-e have been prepared.The carboxylation of allene monoesters 4 was successful with the phenyl derivative 4a only.The resulting extremely unstable halfester 5a as its benzylammonium salt was spontaneously transformed into the enamine ester 7.The alkyl-substituted allenes 5b-e are accessible via Wittig reaction of alkylmalonic monoester chlorides 11 with (alkoxycarbonyl)methylene ylides 12, which comprise the 2,2,2-trichloroethyl or the tert-butyl residues as selectively cleavable carboxylic protecting groups.Cleavage of the CCl3CH2 group with Zn succeeded for the tert-butylallenes 13a/b only.In the case of the methylallene 13c the cleavage was accompanied by hydrogenation of the allene.The mechanism of this reaction is discussed.Cleavage of the tert-butyl ester group in 13d and e was readily achieved with ether/sulfuric acid.