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3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid

    • Product Name 3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid
    • Alias 3-Hydroxy-3-methyl-4,4,4-trifluorobutanoic acid
    • Einecs 252-045-5
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    214447

    Iupac Name 3-hydroxy-3-methyl-4,4,4-trifluorobutanoic acid
    Molecular Formula C5H7F3O3
    Molecular Weight 172.10 g/mol
    Cas Number 111478-19-6
    Appearance White to off-white solid
    Melting Point Approx. 75-78°C
    Solubility In Water Moderately soluble
    Smiles CC(C)(O)C(C(=O)O)C(F)(F)F
    Inchi InChI=1S/C5H7F3O3/c1-5(2,10)3(4(9)11)8(6,7)6/h10H,1-2H3,(H,9,11)
    Pka Approx. 3.9
    Storage Conditions Store at 2-8°C, protect from light and moisture
    Synonyms 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid; 4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid

    As an accredited 3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing White HDPE bottle with a tamper-evident cap, labeled "3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid, 100g," hazard warnings included.
    Shipping 3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid is shipped in tightly sealed containers, protected from moisture and light. It is transported following relevant hazardous material regulations, usually under ambient conditions unless otherwise specified. Proper labeling and documentation ensure safe handling. Protective packaging prevents leaks or spills during transit to comply with chemical transport standards.
    Storage 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from heat and sources of ignition. Protect from moisture and incompatible substances such as strong oxidizers and bases. Store at room temperature or as specified by the manufacturer. Proper labeling and secondary containment are recommended to prevent leaks and accidental exposure.
    Application of 3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid

    Applications of 3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid in Industrial Manufacturing

    3-Hydroxy-3-Methyl-4,4,4-Trifluorobutyric Acid is a specialty fluorinated intermediate engineered for stringent downstream sectors where chemical purity, molecular structure, and performance consistency directly impact process reliability and product standards. As an upstream manufacturer, we support various advanced manufacturing fields with high-purity material for synthesis and integration into demanding applications that require meticulous compliance and precise ratio adjustment protocols.

    1. Pharmaceutical API Intermediate Synthesis

    This acid serves as a vital fluorinated building block for the synthesis of active pharmaceutical ingredients, notably within fluorinated drug discovery and final API production. Medicinal chemists utilize its unique structure for targeted introduction of trifluoromethyl units, enhancing drug stability and bioactivity profiles. Integrators require consistent purity and traceable manufacturing records to secure successful downstream reactions and regulatory submissions.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients
    • USP (United States Pharmacopeia) on fluorinated organic intermediates
    • EU Guidelines EudraLex Volume 4 Part II
    • FDA 21 CFR Part 211, Part 210 for intermediates storage and handling

    Typical usage ratio

    • 0.8–1.3 molar ratios in coupling and alkylation steps, adjusted based on target API structure

    Downstream process integration

    • Material is introduced to API synthesis during early-stage or late-stage fluorination and ring-closure transformations
    • Direct addition to sealed reactors for coupling or Grignard reactions under inert atmosphere
    • QC sampling of input and output streams before final purification

    Final product types

    • Fluorinated small molecule drug substances
    • Speciality antineoplastic agents
    • CNS-active pharmaceutical agents
    • Patent-protected new chemical entities (NCEs) with trifluoromethyl groups

    2. Agrochemical Fine Chemical Synthesis

    The material acts as a precursor for development of advanced agrochemical actives, especially in producing selective herbicides and insecticides that require enhanced metabolic stability. Our manufacturing clients integrate this acid into step-growth and convergent syntheses targeting compounds for regulatory registration and mass production under crop protection regulations.

    Industry compliance standards

    • OECD Guidelines for Testing of Chemicals Section 1, 2, and 3 (Physico-chemical and degradation properties)
    • ISO 9001:2015 for supply chain traceability in agrochemical synthesis
    • FAO/WHO JMPR (Joint Meeting on Pesticide Residues) recommendations
    • REACH (EC 1907/2006) registration for intermediates

    Typical usage ratio

    • 0.2%–2.0% by batch mass in the key step of trifluoromethyl incorporation, modulated by required toxicity and residue profiles

    Downstream process integration

    • Pumped into multipurpose reactors as a core reactant for ring-formation or side-chain fluorination
    • In-line monitoring for residual fluorinated acid content before downstream purification
    • Reactor vent scrubbing systems handle volatile byproducts from fluorination reactions

    Final product types

    • Selective post-emergence herbicides
    • Trifluoromethylated insecticide actives
    • Synthetic fungicides designed for extended field persistence
    • Patent-family agricultural intermediates

    3. Advanced Polymer Engineering Monomer

    Chemical engineers incorporate this acid into synthesis protocols for high-performance fluorinated polymers, essential for membranes or protective coatings where chemical resistance meets low surface energy requirements. Formulators apply strict dosimetry to tune molecular weight and thermal stability according to end-use exposure limits and product certifications.

    Industry compliance standards

    • ASTM D6100 for fluoropolymer homopolymer and copolymer characterization
    • ISO 10993-5 for biocompatibility testing in medical-grade applications
    • RoHS (EU 2015/863) for electrical and electronic polymer compounds
    • UL 94 for flame classification of plastic materials

    Typical usage ratio

    • 5–20 wt% of total comonomer charge, depending on mechanical, dielectric, and surface property specifications

    Downstream process integration

    • Fed into continuous or batch copolymerization reactors as a reactive monomer
    • Monomer premixed and injected at controlled rates to avoid excessive branching
    • End-of-batch sampling confirms fluorine concentration and residual acid prior to extrusion

    Final product types

    • Fluorinated polymer films for microelectronics
    • Membrane materials for fuel cells and electrochemical devices
    • Durable anti-fouling coatings
    • Polymers used in medical device housings

    4. Specialty Fine Chemical Intermediate for Fragrance Manufacturing

    Within the aroma chemicals sector, this material supports synthesis of tailored trifluoromethyl-containing fragrance molecules. It enables olfactory ingredient creators to modify volatility and persistence, meeting IFRA standards and proprietary formulation guidelines from leading perfume producers.

    Industry compliance standards

    • IFRA (International Fragrance Association) Guidelines
    • EU Cosmetics Regulation (EC) No 1223/2009
    • ISO 9235 for definitions of natural and synthetic aroma chemicals
    • REACH Annex XVII for restricted substances in perfumery formulations

    Typical usage ratio

    • 0.05–0.2 molar equivalents in final step acylation or esterification, adjusted for volatility profile

    Downstream process integration

    • Reacts in closed-system vessels for selective functionalization
    • Enters process during late-stage refinement for increased fragrance stability
    • Yield checked by analytical chromatography against industry standards

    Final product types

    • High-value signature aroma molecules for fine fragrance blends
    • Stabilized fragrance components for long-lasting consumer products
    • Special function aroma additives in luxury personal care
    • Proprietary perfumery intermediates

    5. Fluorinated Analytical Reagent Manufacturing

    Producers of specialty analytical reagents introduce this trifluorobutyric acid into chemical derivatization protocols. Its defined structure facilitates precise GC/MS calibration or sample preparation for environmental analysis. Strict documentation and handling requirements support traceability in regulated laboratory supply chains.

    Industry compliance standards

    • ISO 17034:2016 for reference material producers
    • ISO/IEC 17025 for testing and calibration laboratories
    • EPA SW-846 Method 8270 for analysis of semivolatile organics by GC/MS
    • OECD GLP for reagent use in regulatory studies

    Typical usage ratio

    • 10–50 mg/L in calibration or sample derivatization solutions for GC/MS or LC/MS protocols

    Downstream process integration

    • Combined with target analytes in sealed vials before instrumental run
    • Used for reference material reconstitution, verified by comparison to certified value
    • Handled under low-light, low-humidity environments to preserve stability

    Final product types

    • Certified reference materials (CRMs) for method validation
    • Analytical derivatization kits
    • Proficiency testing samples for laboratory accreditation
    • Traceable internal standards for pollutant monitoring
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