2-(2-Propynyloxy)tetrahydropyran - ≥97% , CAS No.6089-04-9

CAS: 6089-04-9 Cat. No.: P160265 Molecular Weight: 140.18 Beilstein Registry Number: 17(5)3,82 EC Number: 228-027-5 PubChem CID: 98609

GRADE & PURITY ≥97%

Synonyms

Anthralan Blue B | Tetrahydro-2-(2-propynyloxy)-2H-pyran, 98% | (RS)-tetrahydro-2-(2-propynyloxy)-2H-pyran | 2-(prop-2-yn-1-yloxy)oxane | 3,4,5,6-tetrahydro-2-(2-propynyloxy)-2H-pyran | 3-[(tetrahydro-2H-pyran-2-yl)oxy]1-propyne | 3-tetrahyropyranyloxy-1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Anthralan Blue B | Tetrahydro-2-(2-propynyloxy)-2H-pyran, 98% | (RS)-tetrahydro-2-(2-propynyloxy)-2H-pyran | 2-(prop-2-yn-1-yloxy)oxane | 3, 4, 5, 6-tetrahydro-2-(2-propynyloxy)-2H-pyran | 3-[(tetrahydro-2H-pyran-2-yl)oxy]1-propyne | 3-tetrahyropyranyloxy-1-

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187135
• Canonical Smiles: C#CCOC1CCCCO1
• IUPAC Name: 2-prop-2-ynoxyoxane
• InChIKey: HQAXHIGPGBPPFU-UHFFFAOYSA-N
• INCHI: 1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
• Isomeric SMILES: C#CCOC1CCCCO1
• PubChem CID: 98609
• Molecular Weight: 140.18
• Beilstein: 17(5)3,82
• Reaxy-Rn: 1893

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: Oxacyclic compounds Acetylides Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Acetylide - Oxacycle - 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: 1.46
• Flash Point(°C): 59°C(lit.)
• Boil Point(°C): 65°C/9mmHg(lit.)
• Molecular Weight: 140.180 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.084 Da
• Monoisotopic Mass: 140.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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