2-(3-Butynyloxy)tetrahydro-2H-pyran

HCID 142440CAS 40365-61-5

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Grundinformationen

Standard-SMILES: C#CCCOC1CCCCO1
InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYSA-N
Summenformel: C9H14O2
Durchschnittliche Molmasse: 154,21 g/mol
Monoisotopische Masse: 154,09937969

Namen und Bezeichner

Bevorzugter Name: 2-(3-Butynyloxy)tetrahydro-2H-pyran
IUPAC: 2-but-3-ynoxyoxane
Englischer Name: 2-(3-Butynyloxy)tetrahydro-2 H-pyran
Summenformel: C9H14O2
Molmasse: 154.21

Namen und Synonyme

2-(3-Butynyloxy)tetrahydro-2H-pyranDTXSID90875820RefChem:455308DTXCID501002496628-704-9NOCAS_87582040365-61-52-(But-3-yn-1-yloxy)tetrahydro-2H-pyran2-but-3-ynoxyoxane2-(but-3-yn-1-yloxy)oxane2-(3-BUTYNYLOXY)TETRAHYDRO-2 H-PYRANMFCD00012352

Weitere Namen anzeigen

considered2-(3-Butynyloxy)tetrahydo-2H-pyran2-(But-3-yn-1-Yloxy)Tetrahydropyran2-(3-Butynyloxy)tetrahydropyran, 98%2-(3-butylyneoxy)tetrahydro-2H-pyran2H-Pyran, 2-(3-butyn-1-yloxy)tetrahydro-

2H-Pyran, 2-(3-butynyloxy)tetrahydro-2-but-3-ynoxytetrahydropyran1-(tetrahydropyran-2-yloxy)-3-butyne2-(but-3-ynyloxy)tetrahydro-2H-pyran3-Butynyl tetrahydro-2H-pyran-2-yl etherNSC2549484-[(tetrahydro-2H-pyran-2-yl)oxy]-1-butyneTetrahydropyranyloxy-3-butyne

Datenbank-Bezeichner

CAS: 40365-61-5
PubChem CID: 142440
DTXSID: DTXSID90875820
EC Number: 628-704-9
Nikkaji: J111.060H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 145

Physikochemische Eigenschaften

Schmelzpunkt: 96 · 96-104 °C
Siedepunkt: 92 · 92-95 °C18 mm Hg(lit.)
Dichte: 0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.457(lit.)
Flammpunkt: 163 °F · 163 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
Farbe: Clear Colourless
InChI: 1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2
InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYSA-N
SMILES: C#CCCOC1CCCCO1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN1993
hs_code: 29329900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-28-37/39
hazard_class: 3
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-(3-Butynyloxy)tetrahydropyran is used as a reagent in the synthesis of Phomoidride D, a bridged, polycyclic, natural compound that has the ability to inhibit squalene synthase and can be used as an antihypercholesterolemic agent. It is also used as a reagent to prepare Rugulactone, a natural compound that is isolated from Cryptocarya rugulosa.