2(3)-(Tetrahydrofurfuryloxy)tetrahydropyran - ≥98% , CAS No.710-14-5

CAS: 710-14-5 Cat. No.: T472598 Molecular Weight: 186.25 PubChem CID: 97985

GRADE & PURITY ≥98%

Synonyms

2-(Tetrahydro-2-furanylmethoxy)tetrahydro-2H-pyran # | 2H-Pyran,tetrahydro-2-[(tetrahydro-2-furanyl)methoxy]- | J-640049 | 2-((tetrahydrofuran-2-yl)methoxy)tetrahydro-2H-pyran | SCHEMBL10354329 | NSC 65618 | XXNUDHUOMVIIFN-UHFFFAOYSA-N | 2-(Tetrahydrofurf

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-(Tetrahydro-2-furanylmethoxy)tetrahydro-2H-pyran # | 2H-Pyran, tetrahydro-2-[(tetrahydro-2-furanyl)methoxy]- | J-640049 | 2-((tetrahydrofuran-2-yl)methoxy)tetrahydro-2H-pyran | SCHEMBL10354329 | NSC 65618 | XXNUDHUOMVIIFN-UHFFFAOYSA-N | 2-(Tetrahydrofurf

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCOC(C1)OCC2CCCO2
• IUPAC Name: 2-(oxolan-2-ylmethoxy)oxane
• InChIKey: XXNUDHUOMVIIFN-UHFFFAOYSA-N
• INCHI: 1S/C10H18O3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h9-10H,1-8H2
• Isomeric SMILES: C1CCOC(C1)OCC2CCCO2
• WGK Germany: 3
• PubChem CID: 97985
• Molecular Weight: 186.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.461
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98 °C
• Molecular Weight: 186.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.126 Da
• Monoisotopic Mass: 186.126 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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