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Methyl trimethylacetate, also known as Methyl Pivalate, is a colorless liquid and serves as the methyl ester of pivalic acid. It is renowned for its resistance to hydrolysis, which allows it to maintain its structure without easily breaking down into the parent acid. This property, along with its clear and colorless nature, makes it a versatile compound with various applications across different industries.

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  • 598-98-1 Structure
  • Basic information

    1. Product Name: Methyl trimethylacetate
    2. Synonyms: PIVALIC ACID METHYL ESTER;TRIMETHYLACETIC ACID METHYL ESTER;2,2-DIMETHYLPROPIONIC ACID METHYL ESTER;METHYL 2,2-DIMETHYLPROPIONATE;METHYL NEOPENTANOATE;METHYL PIVALATE;METHYL TRIMETHYLACETATE;Methyl trimethylaeetate
    3. CAS NO:598-98-1
    4. Molecular Formula: C6H12O2
    5. Molecular Weight: 116.16
    6. EINECS: 209-959-1
    7. Product Categories: N/A
    8. Mol File: 598-98-1.mol
  • Chemical Properties

    1. Melting Point: <-70°C
    2. Boiling Point: 101 °C(lit.)
    3. Flash Point: 44 °F
    4. Appearance: Clear colorless/Liquid
    5. Density: 0.873 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 40.6mmHg at 25°C
    7. Refractive Index: n20/D 1.390(lit.)
    8. Storage Temp.: Flammables area
    9. Solubility: 15.0g/l
    10. Water Solubility: 水不溶,极易溶于乙醇,乙醚。
    11. BRN: 1744141
    12. CAS DataBase Reference: Methyl trimethylacetate(CAS DataBase Reference)
    13. NIST Chemistry Reference: Methyl trimethylacetate(598-98-1)
    14. EPA Substance Registry System: Methyl trimethylacetate(598-98-1)
  • Safety Data

    1. Hazard Codes: F
    2. Statements: 11
    3. Safety Statements: 16-9-33
    4. RIDADR: UN 3272 3/PG 2
    5. WGK Germany: 1
    6. RTECS: UA2459597
    7. TSCA: Yes
    8. HazardClass: 3
    9. PackingGroup: II
    10. Hazardous Substances Data: 598-98-1(Hazardous Substances Data)

598-98-1 Usage

Uses

Used in Chemical Synthesis:
Methyl trimethylacetate is used as a chemical reagent for the preparation of esters and transesterification. Its resistance to hydrolysis makes it a reliable component in chemical reactions, ensuring the stability and purity of the final product.
Used in Vinyl Chloride Resins Production:
In the plastics industry, Methyl trimethylacetate is utilized in the production of vinyl chloride resins. Its chemical properties contribute to the formation of durable and versatile resins, which are widely used in various applications, including the manufacturing of pipes, containers, and other plastic products.
Used as a Chemical Intermediate:
Methyl trimethylacetate serves as a crucial chemical intermediate in the synthesis of various compounds. Its unique properties allow it to be a valuable building block in the creation of new and innovative materials.
Used in Adhesives:
In the adhesives industry, Methyl trimethylacetate is employed to enhance the performance of adhesive formulations. Its resistance to hydrolysis and compatibility with other components make it an ideal additive for creating strong and long-lasting adhesives.
Used in Lubricants, Greases, and Fuel Additives:
Methyl trimethylacetate is also used in the formulation of lubricants, greases, and fuel additives. Its chemical stability and resistance to hydrolysis contribute to the improved performance and longevity of these products, making them more efficient and reliable in their respective applications.

Check Digit Verification of cas no

The CAS Registry Mumber 598-98-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 8 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 598-98:
(5*5)+(4*9)+(3*8)+(2*9)+(1*8)=111
111 % 10 = 1
So 598-98-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3

598-98-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (A13764)  Methyl trimethylacetate, 99%   

  • 598-98-1

  • 100g

  • 382.0CNY

  • Detail
  • Alfa Aesar

  • (A13764)  Methyl trimethylacetate, 99%   

  • 598-98-1

  • 500g

  • 1532.0CNY

  • Detail
  • Sigma-Aldrich

  • (52596)  Methylpivalate  for GC/MS, ≥99.9% (GC)

  • 598-98-1

  • 52596-1L

  • 2,337.66CNY

  • Detail

598-98-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl trimethylacetate

1.2 Other means of identification

Product number -
Other names Propanoic acid, 2,2-dimethyl-, methyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:598-98-1 SDS

598-98-1Relevant articles and documents

A methodical selection process for the development of ketones and esters as bio-based replacements for traditional hydrocarbon solvents

Byrne, Fergal P.,Forier, Bart,Bossaert, Greet,Hoebers, Charly,Farmer, Thomas J.,Hunt, Andrew J.

, p. 4003 - 4011 (2018)

A "top down" approach to the development of sustainable, greener, low-polarity solvents is presented. Methyl butyrate, ethyl isobutyrate, methyl pivalate and pinacolone were identified as potential target solvents from trends in Hansen solubility parameters and known physical properties. Solubility, flammability and physical properties were determined which showed their potential to replace traditional, hazardous, volatile, non-polar solvents such as toluene. Each new candidate then demonstrated their suitability to replace these traditional solvents in solubility tests, despite being esters and ketones, each candidate demonstrated their similarity to traditional volatile non-polar solvents in terms of their solubility properties by their ability to dissolve natural rubber, a particularly low-polarity solute. This was reinforced by their performance in a model Menschutkin reaction and a radical-initiated polymerisation for the production of pressure-sensitive adhesives, where their performance was found to be similar to that of toluene. Importantly, a preliminary toxicity test (Ames test) suggested non-mutagenicity in all candidates. Each of the four candidates can be synthesised via a catalytic route from potentially renewable resources, thus enhancing their green credentials.

Unified Approach to Imidodiphosphate-Type Br?nsted Acids with Tunable Confinement and Acidity

Schwengers, Sebastian A.,De, Chandra Kanta,Grossmann, Oleg,Grimm, Joyce A. A.,Sadlowski, Natascha R.,Gerosa, Gabriela G.,List, Benjamin

supporting information, p. 14835 - 14844 (2021/09/18)

We have designed and realized an efficient and operationally simple single-flask synthesis of imidodiphosphate-based Br?nsted acids. The methodology proceedsviaconsecutive chloride substitutions of hexachlorobisphosphazonium salts, providing rapid access to imidodiphosphates (IDP), iminoimidodiphosphates (iIDP), and imidodiphosphorimidates (IDPi). These privileged acid catalysts feature a broad acidity range (pKafrom ~11 to 95:5 er) sulfoxidation of methyln-propyl sulfide. Furthermore, the methodology delivers a novel, rationally designed super acidic catalyst motif, imidodiphosphorbis(iminosulfonylimino)imidate (IDPii), the extreme reactivity of which exceeds commonly employed super-Br?nsted acids, such as trifluoromethanesulfonic acid. The unique reactivity of one such IDPii catalyst has been demonstrated in the first α-methylation of a silyl ketene acetal with methanol as the electrophilic alkylating reagent.

Catalytic conversion of ketones to esters: Via C(O)-C bond cleavage under transition-metal free conditions

Subaramanian, Murugan,Ramar, Palmurukan M.,Rana, Jagannath,Gupta, Virendra Kumar,Balaraman, Ekambaram

supporting information, p. 8143 - 8146 (2020/09/09)

The catalytic conversion of ketones to esters via C(O)-C bond cleavage under transition-metal free conditions is reported. This catalytic process proceeds under solvent-free conditions and offers an easy operational procedure, broad substrate scope with excellent selectivity, and reaction scalability. This journal is

Nickel-catalysed direct alkylation of thiophenes via double C(sp3)-H/C(sp2)-H bond cleavage: The importance of KH2PO4

Wang, Xie,Xie, Peipei,Qiu, Renhua,Zhu, Longzhi,Liu, Ting,Li, You,Iwasaki, Takanori,Au, Chak-Tong,Xu, Xinhua,Xia, Yuanzhi,Yin, Shuang-Feng,Kambe, Nobuaki

supporting information, p. 8316 - 8319 (2017/07/26)

A Ni-catalyzed oxidative C-H/C-H cross-dehydrogenative coupling (CDC) reaction was developed for constructing various highly functionalized alkyl (aryl)-substituted thiophenes. This method employs thiophenes and aliphatic (aromatic) amides that contain an 8-aminoquinoline as a removable directing group in the presence of a silver oxidant. The approach enables the facile one-step synthesis of substituted thiophenes with high functional group compatibility via double C-H bond cleavage without affecting C-Br and C-I bonds. DFT calculations verify the importance of KH2PO4 as an additive for promoting C-H bond cleavage and support the involvement of a Ni(iii) species in the reaction.

Acid-catalyzed oxidation of levulinate derivatives to succinates under mild conditions

Wang, Yuran,Vogelgsang, Ferdinand,Román-Leshkov, Yuriy

, p. 916 - 920 (2015/03/18)

Levulinate derivatives are an attractive platform for the production of renewable chemicals. Here we report on the oxidation of methyl levulinate into dimethyl succinate with peroxides under mild conditions using Br?nsted and Lewis acid catalysts. Selectivities to succinate and acetate derivatives of approximately 60 and 40 %, respectively, were obtained with strong Br?nsted acids in methanol. Although the molecular structure (i.e., carbon-chain length and branching around the C=O group) and the oxidant type affect the product distribution, solvent choice has the strongest impact on changing the location of oxygen insertion into the carbon backbone. Specifically, switching the solvent from methanol to heptane resulted in a decrease in the succinate/acetate ratio from 1.6 to 0.3. In contrast to Br?nsted acids, we demonstrate that the nature of the metal cation is responsible for changing the reaction selectivity of water-tolerant Lewis acidic triflate salts.

Methyl salicylate as a selective methylation agent for the esterification of carboxylic acids

Chen, Si,Jia, Lei,Li, Xiaonan,Luo, Meiming

, p. 263 - 268 (2014/03/21)

Methyl salicylate is a selective and inexpensive methylating agent for the esterification of carboxylic acids with a wide range of functional group tolerance. The intramolecular hydrogen bonds between the carboxylate and hydroxyl groups in methyl salicylate are essential for the transformation. Allyl, benzyl, methallyl, and propargyl salicylates can also be used as alkylating agents for the preparation of the corresponding alkyl carboxylates.

Design and synthesis of sulfonated carbons with amphiphilic properties

Jia, Rong,Ren, Jiawen,Liu, Xiaohui,Lu, Guanzhong,Wang, Yanqin

, p. 11195 - 11201 (2014/07/21)

A new type of sulfonated carbon material with amphiphilic properties was synthesized by the hydrothermal carbonization of a mixture of furfural-sodium dodecylbenzene sulfonate at 180 °C in an autoclave. The addition of SDBS is necessary for the production of materials with long carbon chains and is possibly used to improve the solubilization of long carbon-chain and steric compounds such as pivalic acid. The resulting material was characterized by N2 adsorption, XPS, 13C NMR, XRD and FTIR. The synthesized material was proven to be a highly efficient solid-acid catalyst in reactions such as the esterification of pivalic acid with alcohols, and catalytic performance much better than that of conventional solid acid catalysts, e.g. Amberlyst-15 and Nafion resin, was observed.

Conversion of levulinate into succinate through catalytic oxidative carbon-carbon bond cleavage with dioxygen

Liu, Junxia,Du, Zhongtian,Lu, Tianliang,Xu, Jie

, p. 2255 - 2258 (2014/01/06)

Grand Cleft Oxo: Levulinate, available from biomass, is oxidized into succinate through manganese(III)-catalyzed selective cleavage of C-C bonds with molecular oxygen. In addition to levulinate, a wide range of aliphatic methyl ketones also undergo oxidative C-C bond cleavage at the carbonyl group. This procedure offers a route to valuable dicarboxylic acids from biomass resources by nonfermentive approaches. Copyright

SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS

-

Page/Page column 104, (2013/03/26)

The invention relates to substituted heteroaromatic pyrazole-containing carboxamide and urea derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands

-

Paragraph 0666, (2013/03/26)

Substituted heteroaromatic pyrazole-containing carboxamide and urea compounds as vanilloid receptor ligands, pharmaceutical compositions containing these compounds and also to a method of using these compounds for treating and/or inhibiting pain and further diseases and/or disorders.

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