Cas no 371-27-7 (2,2,2-Trifluoroethyl butyrate)

2,2,2-Trifluoroethyl butyrate structure
2,2,2-Trifluoroethyl butyrate structure
Product Name:2,2,2-Trifluoroethyl butyrate
CAS No:371-27-7
MF:C6H9F3O2
MW:170.129672765732
MDL:MFCD00077609
CID:307056
PubChem ID:87565012
Update Time:2025-10-29

2,2,2-Trifluoroethyl butyrate Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2,2,2-trifluoroethyl ester
    • 2,2,2-Trifluoroethyl Butyrate
    • 2,2,2-trifluoroethyl butanoate
    • Butyric Acid 2,2,2-Trifluoroethyl Ester
    • 2,2,2-Trifluoroethylbutyrate
    • DEXWRCYOMLUJRF-UHFFFAOYSA-N
    • Butanoic acid, 2,2,2-trifluoroethyl ester
    • 2-TFB
    • Butyric acid, TFE
    • trifluoroethyl butyrate
    • trifluoroethyl butanoate
    • SBB088370
    • 1821AE
    • MFCD00077609
    • BS-43803
    • B2144
    • FT-0609048
    • DTXSID00190591
    • D88900
    • 2,2,2-Trifluoroethyl butyrate, 98%
    • 371-27-7
    • CS-0199111
    • SCHEMBL67892
    • AKOS006221407
    • A823536
    • DB-015504
    • 2,2,2-Trifluoroethyl butyrate
    • MDL: MFCD00077609
    • Inchi: 1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3
    • InChI Key: DEXWRCYOMLUJRF-UHFFFAOYSA-N
    • SMILES: FC(COC(CCC)=O)(F)F

Computed Properties

  • Exact Mass: 170.05500
  • Monoisotopic Mass: 170.055464
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 130
  • 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: 2.1
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not available
  • Density: 1.127?g/mL?at 25?°C(lit.)
  • Boiling Point: 113?°C/747?mmHg(lit.)
  • Flash Point: Fahrenheit: 69.8 ° f
    Celsius: 21 ° c
  • Refractive Index: n20/D 1.347(lit.)
  • PSA: 26.30000
  • LogP: 1.89200
  • Sensitiveness: Sensitive to humidity
  • Solubility: Not available

2,2,2-Trifluoroethyl butyrate Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Danger
  • Hazard Statement: H225-H315-H319-H335
  • Warning Statement: P210-P261-P305 + P351 + P338
  • Hazardous Material transportation number:UN 3272 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S26-S36
  • FLUKA BRAND F CODES:10-21
  • Hazardous Material Identification: Xi
  • HazardClass:3.2
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:3.2
  • Safety Term:3.2
  • Packing Group:III
  • Risk Phrases:R36/37/38

2,2,2-Trifluoroethyl butyrate Pricemore >>

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2,2,2-Trifluoroethyl butyrate Related Literature

Additional information on 2,2,2-Trifluoroethyl butyrate

2,2,2-Trifluoroethyl Butyrate (CAS No. 371-27-7): Properties, Applications, and Market Insights

2,2,2-Trifluoroethyl butyrate (CAS No. 371-27-7) is a fluorinated ester compound widely used in various industries due to its unique chemical properties. This article delves into its molecular structure, key characteristics, applications, and emerging trends in the market. With increasing interest in fluorinated compounds and their role in advanced materials, this compound has gained attention for its versatility.

The chemical formula of 2,2,2-trifluoroethyl butyrate is C6H9F3O2, featuring a trifluoroethyl group attached to a butyrate moiety. Its molecular weight is 170.13 g/mol, and it typically appears as a clear, colorless liquid with a fruity odor. The presence of fluorine atoms enhances its stability and reactivity, making it valuable in specialty chemical synthesis.

One of the primary applications of 2,2,2-trifluoroethyl butyrate is in the flavor and fragrance industry. Its ester-like aroma makes it suitable for creating synthetic flavors, particularly in food additives and perfumes. Researchers are also exploring its potential in pharmaceutical intermediates, where fluorinated compounds play a crucial role in drug development.

In recent years, the demand for eco-friendly solvents has grown, and 2,2,2-trifluoroethyl butyrate has been studied as a greener alternative in certain industrial processes. Its low toxicity and biodegradability align with the shift toward sustainable chemistry. Additionally, its thermal stability makes it useful in high-performance coatings and electronic materials.

The market for fluorinated esters like 2,2,2-trifluoroethyl butyrate is expanding, driven by advancements in material science and green chemistry. Companies are investing in R&D to optimize production methods and reduce costs, ensuring wider accessibility. As regulations on conventional solvents tighten, this compound presents a promising alternative.

For researchers and industry professionals, understanding the synthesis of 2,2,2-trifluoroethyl butyrate is essential. Common methods include esterification reactions between 2,2,2-trifluoroethanol and butyric acid, often catalyzed by acids or enzymes. Innovations in catalytic processes aim to improve yield and reduce environmental impact.

Safety considerations for handling 2,2,2-trifluoroethyl butyrate include standard laboratory precautions, such as proper ventilation and personal protective equipment. While it is not classified as highly hazardous, its storage should avoid extreme temperatures and incompatible materials.

Future trends suggest that 2,2,2-trifluoroethyl butyrate will continue to find new applications in biotechnology and nanomaterials. Its compatibility with fluorine-rich polymers and potential in drug delivery systems are areas of active research. As industries prioritize sustainability, this compound’s role is expected to grow.

In summary, 2,2,2-trifluoroethyl butyrate (CAS No. 371-27-7) is a versatile fluorinated ester with broad industrial relevance. From flavors to advanced materials, its unique properties make it a compound of interest for scientists and manufacturers alike. Keeping abreast of its evolving applications will be key for stakeholders in the chemical sector.

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