2-(3-Butynyloxy)tetrahydro-2H-pyran (HCID 142440)

Names & identifiers

Preferred name: 2-(3-Butynyloxy)tetrahydro-2H-pyran
IUPAC: 2-but-3-ynoxyoxane
English name: 2-(3-Butynyloxy)tetrahydro-2 H-pyran
Molecular formula: C9H14O2
Molecular weight: 154.21

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 96 · 96-104 °C
Boiling point: 92 · 92-95 °C18 mm Hg(lit.)
Density: 0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.457(lit.)
Flash point: 163 °F · 163 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
form: Oil
color: 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
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 23 · 23-26-28-37/39
RIDADR: 1993 · UN1993
WGK Germany: 3 · 3
HazardClass: 3 · 3
HS Code: 29329900 · 29329900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN1993
hs_code: 29329900
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 23-26-28-37/39
hazard_class: 3
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-(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.