Description

Ethyl 4,4,4-Trifluoro-3-hydroxybutanoate (CAS No. 372-30-5) is a high-purity fluorinated organic compound with the molecular formula C₆H₉F₃O₃. This versatile ester is widely used in pharmaceutical synthesis, agrochemical development, and advanced material research due to its unique trifluoromethyl and hydroxyl functional groups. Our product is rigorously tested to ensure ≥98% purity (by GC) and is available in quantities ranging from grams to kilograms to meet both laboratory and industrial-scale demands.

The compound is supplied as a clear, colorless to pale yellow liquid with a characteristic ester-like odor. It is soluble in common organic solvents such as ethanol, methanol, and dichloromethane, but has limited solubility in water. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability.

Key applications include:

• Chiral building block for pharmaceutical intermediates
• Precursor for fluorinated polymers and specialty materials
• Reagent in asymmetric synthesis and catalysis

Safety Information: Hazard statements apply – refer to SDS for complete handling instructions. Product is for research use only, not for drug, household, or other uses.

Properties

• CAS Number: 372-30-5
• Complexity: 155
• IUPAC Name: ethyl 4,4,4-trifluoro-3-hydroxy-butanoate
• InChI: InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
• InChI Key: ZWEDFBKLJILTMC-UHFFFAOYSA-N
• Exact Mass: 186.05037863
• Molecular Formula: C6H9F3O3
• Molecular Weight: 186.13
• SMILES: CCOC(=O)CC(C(F)(F)F)O
• Topological: 46.5
• Monoisotopic Mass: 186.05037863
• Synonyms: 372-30-5, ethyl 4,4,4-trifluoro-3-hydroxybutanoate, DTXSID70958382, ethyl 3FHB, DTXCID00894507, 609-363-5, Ethyl 3-hydroxy-4,4,4-trifluorobutyrate, Ethyl 4,4,4-Trifluoro-3-hydroxybutyrate, MFCD00040842, (R)-Ethyl 4,4,4-trifluoro-3-hydroxybutanoate, 4,4,4-Trifluoro-3-hydroxybutyric Acid Ethyl Ester, ethyl 3-hydroxy-4,4,4-trifluorobutanoate, 3-Hydroxy-4,4,4-trifluorobutyric acid ethyl ester, Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester, SCHEMBL195939, CS-B1752, SBB001552, AKOS005206879, AB01831, AC-7738, SB45834, Ethyl4,4,4-Trifluoro-3-hydroxybutyrate, AS-30101, SY016100, ethyl 3-hydroxyl-4,4,4-trifluorobutyrate, DB-049084, DB-056876, ethyl 4,4,4-trifluoro-3-hydroxy butanoate, ST50410969, T1949, (S)-Ethyl 4,4,4-trifluoro-3-hydroxybutanoate, EN300-122908, ethyl (+/-)-4,4,4-trifluoro-3-hydroxybutanoate, 3-Hydroxy-4,4,4-trifluorobutanoic acid ethyl ester, 4,4,4-trifluoro-3-hydroxy-butyric acid ethyl ester

Ethyl 4,4,4-trifluoro-3-hydroxybutanoate serves as a key intermediate in the synthesis of fluorinated β-hydroxy acids and their derivatives. The compound’s reactive hydroxyl group enables facile derivatization, while the trifluoromethyl moiety enhances metabolic stability in pharmaceutical candidates. Researchers utilize this material in asymmetric hydrogenation studies and as a building block for protease inhibitors. Its unique fluorine substitution pattern makes it valuable for developing PET imaging agents and agrochemicals with improved bioavailability.

Safety and Hazards

GHS Hazard Statements

• H225 (16.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H227 (16.7%): Combustible liquid [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (16.7%)
• Flam. Liq. 4 (16.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.