Butirato de tetrahidrofurfurilo - ≥98%(GC) , CAS No.2217-33-6

CAS: 2217-33-6 Cat. No.: T161754 Peso molecular: 172.22 Número EC: 218-710-6 PubChem CID: 551316

GRADE & PURITY ≥98%(GC)

Synonyms

(oxolan-2-yl)methyl butanoate | 2-(6-(Dimethylamino)benzo[d][1,3]dioxol-5-ylthio)-1-(2-(neopentylamino) ethyl)-1H-imidazo[4,5-c]pyridin-4-amine | Embiol | FT-0655671 | Tetrahydrofurfuryl butyrate, >=97% | Butanoic acid, 2-tetrahydrofurylmethyl ester | Tet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(oxolan-2-yl)methyl butanoate | 2-(6-(Dimethylamino)benzo[d][1, 3]dioxol-5-ylthio)-1-(2-(neopentylamino) ethyl)-1H-imidazo[4, 5-c]pyridin-4-amine | Embiol | FT-0655671 | Tetrahydrofurfuryl butyrate, >=97% | Butanoic acid, 2-tetrahydrofurylmethyl ester | Tet

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488190260
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190260
• Sonrisas canónicas: CCCC(=O)OCC1CCCO1
• IUPAC Name: oxolan-2-ylmethyl butanoate
• InChIKey: DPZVDLFOAZNCBU-UHFFFAOYSA-N
• INCHI: 1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
• Isómeros SMILES: CCCC(=O)OCC1CCCO1
• CAS alternativo: 92345-48-7
• PubChem CID: 551316
• Peso molecular: 172.22
• Reaxy-Rn: 122710

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.44
• Punto de inflamación (°F): 99°C(lit.)
• Punto de inflamación (°C): 99°C(lit.)
• Punto de ebullición (°C): 227°C(lit.)
• Peso molecular: 172.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 172.11 Da
• Monoisotopic Mass: 172.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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