Tetrahydro furfuryl alcohol - ≥99% , CAS No.97-99-4

CAS: 97-99-4 Cat. No.: T105720 Peso molecular: 102.13 Beilstein Registry Number: 102723 Número EC: 202-625-6

GRADE & PURITY ≥99%

Synonyms

THFA | (tetrahydro-furan-2-yl)-methanol | (Tetrahydrofuran-2-yl)methanol | CAS-97-99-4 | [(2R)-tetrahydrofuran-2-yl]methanol | 2-hydroxymethyltetrahydrofuran | 2-Hydroxymethyl-Tetrahydrofuran | CHEBI:137944 | T0106 | Tetrahydro-2-furylmethanol | EC 202-62

Storage

Room temperature,Cool

Shipped In

Normal

Descripción general

Tetrahydrofurfuryl alcohol undergoes chemoselective hydrogenolysis catalyzed by Rh/SiO2 modified with ReOx species to yield 1,5-pentanediol. It undergoes lanthanum-mediated Michael-type addition reaction with maleate to form alkoxybutanedioic acid.

Specifications

Sinónimos

THFA | (tetrahydro-furan-2-yl)-methanol | (Tetrahydrofuran-2-yl)methanol | CAS-97-99-4 | [(2R)-tetrahydrofuran-2-yl]methanol | 2-hydroxymethyltetrahydrofuran | 2-Hydroxymethyl-Tetrahydrofuran | CHEBI:137944 | T0106 | Tetrahydro-2-furylmethanol | EC 202-62

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504751315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751315
• Sonrisas canónicas: C1CC(OC1)CO
• IUPAC Name: oxolan-2-ylmethanol
• InChIKey: BSYVTEYKTMYBMK-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
• Isómeros SMILES: C1CC(OC1)CO
• WGK Alemania: 2
• RTECS: LU2450000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 102.13
• Beilstein: 102723
• Reaxy-Rn: 102723
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102723&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic.
• Índice de refracción: 1.451-1.453
• Punto de inflamación (°F): 167 °F
• Punto de inflamación (°C): 74℃
• Punto de ebullición (°C): 178°C
• Punto de fusión (°C): -80°C
• Peso molecular: 102.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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

Referencias

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