Cas no 547-63-7 (Methyl isobutyrate)

Methyl isobutyrate (CAS 547-63-7) is a clear, colorless ester with a fruity, apple-like odor. Its chemical formula is C5H10O2, and it is commonly used as a flavoring agent in food and fragrance industries due to its pleasant aroma. The compound exhibits high volatility and low viscosity, making it suitable for applications requiring rapid evaporation. It is also utilized as a solvent in coatings and adhesives, where its moderate polarity and compatibility with other organic compounds are advantageous. Methyl isobutyrate is stable under normal conditions but should be stored away from strong oxidizers. Its consistent purity and reliable performance make it a preferred choice in industrial and consumer applications.
Methyl isobutyrate structure
Methyl isobutyrate structure
Product Name:Methyl isobutyrate
CAS No:547-63-7
MF:C5H10O2
MW:102.131701946259
MDL:MFCD00008914
CID:38249
PubChem ID:24901261
Update Time:2025-11-01

Methyl isobutyrate Chemical and Physical Properties

Names and Identifiers

    • Methyl isobutyrate
    • 2-METHYLPROPIONIC ACID-METHYL ESTER
    • FEMA 2694
    • ISOBUTYRIC ACID METHYL ESTER
    • METHYL-2-METHYLPROPANOATE
    • METHYL 2-METHYLPROPIONATE
    • METHYL DIMETHYLACETATE
    • (CH3)2CHC(O)OCH3
    • 2-methylpropanoicacidmethylester
    • 2-methyl-propanoicacidmethylester
    • 2-methyl-propanoicacimethylester
    • Methyl isobutanoate
    • Methyl methylpropanoate
    • Methylester kyseliny isomaselne
    • Propanoicacid,2-methyl-,methylester
    • Methyl #niso-butyrate
    • methylmethylpropanoate,methyl2-methylpropanoate
    • methyl 2-methylpropanoate
    • Methyl isobutyrate1000μg
    • MDL: MFCD00008914
    • Inchi: 1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
    • InChI Key: BHIWKHZACMWKOJ-UHFFFAOYSA-N
    • SMILES: COC(C(C)C)=O
    • BRN: 1740720

Computed Properties

  • Exact Mass: 102.06800
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 66.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2

Experimental Properties

  • Color/Form: Colorless liquid with fragrance.
  • Density: 0.891?g/mL?at 25?°C(lit.)
  • Melting Point: -85°C(lit.)
  • Boiling Point: 92°C
  • Flash Point: Degrees Fahrenheit:53.6°F
    Degrees Celsius:12°C
  • Refractive Index: n20/D 1.384(lit.)
  • Solubility: alcohol: miscible
  • Water Partition Coefficient: Slightly soluble
  • PSA: 26.30000
  • LogP: 0.81540
  • Merck: 6088
  • FEMA: 2694
  • Solubility: It is miscible with ethanol \ ether and slightly soluble in water

Methyl isobutyrate Security Information

  • Symbol: GHS02 GHS07
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H225,H332
  • Warning Statement: P210
  • Hazardous Material transportation number:UN 1237 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-20
  • Safety Instruction: S16-S37/39-S26
  • RTECS:NQ5425000
  • Hazardous Material Identification: F Xi
  • HazardClass:3
  • PackingGroup:II
  • TSCA:Yes
  • Safety Term:3
  • Packing Group:II
  • Risk Phrases:R11; R36/37/38
  • Packing Group:II
  • Hazard Level:3

Methyl isobutyrate Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Methyl isobutyrate Pricemore >>

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Methyl isobutyrate Production Method

Methyl isobutyrate Suppliers

Amadis Chemical Company Limited
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(CAS:547-63-7)Methyl isobutyrate
Order Number:A1237968
Stock Status:in Stock
Quantity:2.5l
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:14
Price ($):202
Suzhou Senfeida Chemical Co., Ltd
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(CAS:547-63-7)Methyl isobutyrate
Order Number:sfd10741
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:547-63-7)Methyl isobutyrate
Order Number:LE13492;LE25824185
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:09
Price ($):discuss personally

Methyl isobutyrate Related Literature

Additional information on Methyl isobutyrate

Methyl Isobutyrate (CAS No. 547-63-7): An Overview of Its Properties, Applications, and Recent Research

Methyl isobutyrate (CAS No. 547-63-7) is a versatile organic compound with a wide range of applications in the chemical and pharmaceutical industries. This compound, also known as isobutyl methyl carbonate, is characterized by its distinctive fruity aroma and low toxicity, making it a valuable component in various formulations. In this comprehensive overview, we will delve into the chemical properties, industrial applications, and recent research developments surrounding methyl isobutyrate.

Chemical Properties: Methyl isobutyrate is a colorless to pale yellow liquid with a pleasant, fruity odor. It has a molecular formula of C5H10O2 and a molecular weight of 102.13 g/mol. The compound is soluble in most organic solvents but only slightly soluble in water. Its boiling point is around 118°C at atmospheric pressure, and it has a density of approximately 0.86 g/cm3 at 20°C. These properties make it suitable for use in various applications where solubility and volatility are important factors.

Synthesis: Methyl isobutyrate can be synthesized through several methods, including the esterification of isobutyric acid with methanol or the transesterification of isobutyl alcohol with methyl acetate. The choice of method depends on the specific requirements of the application and the availability of raw materials. Recent advancements in catalytic processes have improved the efficiency and yield of these reactions, making the production of methyl isobutyrate more cost-effective and environmentally friendly.

Applications: One of the primary uses of methyl isobutyrate is as a flavoring agent in the food and beverage industry. Its fruity aroma makes it an ideal additive for creating natural and artificial flavors in products such as beverages, confectionery, and baked goods. In addition to its use in food, methyl isobutyrate finds applications in the fragrance industry as a component in perfumes and personal care products. Its low toxicity and pleasant scent make it a safe and effective ingredient for these purposes.

In the pharmaceutical industry, methyl isobutyrate serves as an intermediate in the synthesis of various drugs and active pharmaceutical ingredients (APIs). Its reactivity and functional groups allow it to participate in a wide range of chemical reactions, making it a valuable building block for drug development. Recent research has explored its potential as a solvent for drug delivery systems, where its ability to enhance solubility and stability can improve the efficacy of therapeutic agents.

Recent Research Developments: The versatility of methyl isobutyrate has led to ongoing research into its potential applications across multiple fields. One notable area of interest is its use in green chemistry initiatives. Researchers are investigating ways to utilize methyl isobutyrate as a sustainable solvent alternative to traditional organic solvents, which often have higher environmental impacts. Studies have shown that methyl isobutyrate can effectively replace solvents like dichloromethane and toluene in certain reactions without compromising reaction efficiency or product quality.

In the realm of materials science, methyl isobutyrate has been explored for its potential in polymer synthesis. Its ability to form stable ester linkages makes it an attractive monomer for creating biodegradable polymers with tailored properties. These polymers have applications in areas such as drug delivery, tissue engineering, and environmental remediation.

Safety Considerations: While methyl isobutyrate is generally considered safe for use in consumer products, proper handling and storage practices are essential to ensure safety. It should be stored in tightly sealed containers away from heat sources and incompatible materials. Personal protective equipment (PPE) such as gloves and safety goggles should be used when handling this compound to prevent skin contact and inhalation.

In conclusion, methyl isobutyrate (CAS No. 547-63-7) continues to be an important compound in various industries due to its unique chemical properties and wide range of applications. Ongoing research into its potential uses in green chemistry, materials science, and pharmaceuticals highlights its significance as a versatile building block for innovation. As new developments emerge, the role of methyl isobutyrate in advancing scientific and industrial processes will likely continue to grow.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:547-63-7)Methyl isobutyrate
A1237968
Purity:99%
Quantity:2.5l
Price ($):202
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Suzhou Senfeida Chemical Co., Ltd
(CAS:547-63-7)Methyl isobutyrate
sfd10741
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email