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Dibutyl Ether AR (n-Butyl ether)

CAT: 0459-508275-01Size: 200 LDry Ice: NoHazardous: No
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CAT#:0459-508275-01Size:200 L
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CAS Number
142-96-1

Chemical Information

Butyl ether

N-butyl ether appears as a clear colorless liquid with an ethereal odor. Flash point below 141 °F. Less dense than water and insoluble in water. Vapors heavier than air. Irritates the eyes, nose, throat, and respiratory tract.

CAS Number142-96-1
PubChem CID8909
IUPAC Name1-butoxybutane
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP3.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity37
SMILES
CCCCOCCCC
InChI
InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey
DURPTKYDGMDSBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl ether
CAS: 142-96-1
CID: 8909
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity37.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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