CAS 158576-21-7 2H-Pyran, tetrahydro-2-(7-octyn-1-yloxy)- (HCID 86050)

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Basic information

CAS: 158576-21-7
Standard SMILES: C#CCCCCCCOC1CCCCO1
InChIKey: NNZDDWHYRFZHLF-UHFFFAOYSA-N
Molecular formula: C13H22O2
Average molar mass: 210.31 g/mol
Monoisotopic mass: 210.16197994

Names & identifiers

Preferred name: 2H-Pyran, tetrahydro-2-(7-octyn-1-yloxy)-
IUPAC: 2-oct-7-ynoxyoxane
English name: tetrahydro-2-(7-octynyloxy)-2H-pyran
Molecular formula: C13H22O2
Molecular weight: 210.31

Names & synonyms

16695-31-12H-Pyran, tetrahydro-2-(7-octyn-1-yloxy)-EINECS 240-740-32H-Pyran, tetrahydro-2-(7-octynyloxy)-DTXSID60884929RefChem:484364DTXCID108762332-oct-7-ynoxyoxane2-(Oct-7-yn-1-yloxy)tetrahydropyranTetrahydro-2-(7-octyn-1-yloxy)-2H-pyranTetrahydro-2-(7-octynyloxy)-2H-pyran2-[(Oct-7-yn-1-yl)oxy]oxane

Show more names

2-(7-Octyn-1-yloxy)tetrahydro-2H-pyran158576-21-7SCHEMBL6819838DTXSID702758298-(tetrahydropyranyloxy)-1-octyne1-(tetrahydropyranyloxy)-oct-7-yneMFCD33405019AT23229

Database identifiers

CAS: 158576-21-7、16695-31-1
PubChem CID: 86050
EC Number: 240-740-3
Nikkaji: J236.822F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 192

Physicochemical properties

Boiling point: 110 °C · 110 °C(Press: 2 Torr)
Density: 0.94 · 0.94±0.1 g/cm3(Predicted)
EPA Substance Registry System: 2 H-Pyran, · 2H-Pyran, tetrahydro-2-(7-octynyloxy)- (16695-31-1)
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed

Chemistry & industry

Applications · 1 item

UsesTetrahydro-2-(7-octyn-1-yloxy)-2H-pyran is commonly used as a reagent to synthesize sex pheromones of various insects (e.g. phyllocnistis citrella and autographa gamma L.). Tetrahydro-2-(7-octyn-1-yloxy)-2H-pyran is also used as a reagent to synthesize long chain ω- and (ω-1)-hydroxy fatty acids.