Ethyl 4,4,4-Trifluoro-3-hydroxybutyrate - ≥97%(GC) , CAS No.372-30-5

CAS: 372-30-5 Cat. No.: E136289 Formula: C₆H₉F₃O₃ Peso molecolare: 186.13 Numero EC: 609-363-5

GRADE & PURITY ≥97%(GC)

Synonyms

AS-30101 | Ethyl 4,4,4-Trifluoro-3-hydroxybutyrate | FT-0615818 | ethyl 3-hydroxy-4,4,4-trifluorobutanoate | ethyl (+/-)-4,4,4-trifluoro-3-hydroxybutanoate | EN300-122908 | N-HEPTYLACRYLATE | AC-7738 | SB45834 | ethyl3-hydroxy-4,4,4-trifluorobutyrate | 4,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AS-30101 | Ethyl 4,4,4-Trifluoro-3-hydroxybutyrate | FT-0615818 | ethyl 3-hydroxy-4,4,4-trifluorobutanoate | ethyl (+/-)-4,4,4-trifluoro-3-hydroxybutanoate | EN300-122908 | N-HEPTYLACRYLATE | AC-7738 | SB45834 | ethyl3-hydroxy-4,4,4-trifluorobutyrate | 4,

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504757052

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757052

Sorrisi canonici

CCOC(=O)CC(C(F)(F)F)O

IUPAC Name

ethyl 4,4,4-trifluoro-3-hydroxybutanoate

InChIKey

ZWEDFBKLJILTMC-UHFFFAOYSA-N

INCHI

1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3

Isomeri SMILES

CCOC(=O)CC(C(F)(F)F)O

Peso molecolare

186.13

Reaxy-Rn

1708105

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1708105&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid esters Secondary alcohols Fluorohydrins Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Fluorohydrin - Halohydrin - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.37
• Punto di ebollizione (°C): 83°C/15mmHg
• Punto di fusione (°C): 26 °C
• Peso molecolare: 186.130 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 186.05 Da
• Monoisotopic Mass: 186.05 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 372-30-5, the molecular formula is C6H9F3O3, and the molecular weight is 186.13 g/mol. InChIKey ZWEDFBKLJILTMC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.