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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items ALPHA-(TRIFLUOROMETHYL)-GAMMA-VALEROLACTONE, MIXTURE OF CIS AND TRANS , CAS No.139547-12-9
Synonyms
139547-12-9|5-methyl-3-(trifluoromethyl)oxolan-2-one|5-Methyl-3-(trifluoromethyl)dihydrofuran-2(3H)-one|4-Hydroxy-2-trifluoromethylpentanoic acid lactone|gamma-methyl-alpha-(trifluoromethyl)-gamma-butyrolactone|SCHEMBL12934448|DTXSID70370080|QYTOOVCITOVYE
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
139547-12-9 | 5-methyl-3-(trifluoromethyl)oxolan-2-one | 5-Methyl-3-(trifluoromethyl)dihydrofuran-2(3H)-one | 4-Hydroxy-2-trifluoromethylpentanoic acid lactone | gamma-methyl-alpha-(trifluoromethyl)-gamma-butyrolactone | SCHEMBL12934448 | DTXSID70370080 | QYTOOVCITOVYE
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC1CC(C(=O)O1)C(F)(F)F IUPAC Name 5-methyl-3-(trifluoromethyl)oxolan-2-one InChIKey QYTOOVCITOVYEL-UHFFFAOYSA-N INCHI 1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3 Isómeros SMILES CC1CC(C(=O)O1)C(F)(F)F Peso molecular 168.12 Reaxy-Rn 5426622 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5426622&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Lactones Subclass Gamma butyrolactones Intermediate Tree Nodes Not available Direct Parent Gamma butyrolactones Alternative Parents Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aliphatic heteromonocyclic compounds Substituents Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aliphatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 168.110 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 0 Exact Mass 168.04 Da Monoisotopic Mass 168.04 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 175.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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