Dibutyl ether

C₈H₁₈OCAS 142-96-1130.23 g/mol

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Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.7684 g/mL (at 20 °C)
Melting point: −95.2 °C
Boiling point: 140.2 °C
Water solubility: 300 mg/L (25 °C)
logP: 2.60Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-054-00-9), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

142-96-1

SMILES

CCCCOCCCC

InChIKey

DURPTKYDGMDSBL-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

Butane, 1,1′-oxybis-
Butyl ether
1,1′-Oxybis[butane]
Di-n-butyl ether
Dibutyl oxide
n-Butyl ether
Butyl oxide
NSC 8459
n-Bu2O
1-Butoxybutane

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 142-96-1. Each row opens the sheet with its composition and PDF.

Di-n-butyl ether > 95 %Fisher Scientific UK · 2023-10-04

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Work with Dibutyl ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glycol dibutyl ether112-48-193 % similar Diethylene glycol dibutyl ether112-73-293 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-193 % similar Pentyl ether693-65-280 % similar Dihexyl ether112-58-375 % similar Octyl ether629-82-375 % similar Butyl ethyl ether628-81-971 % similar 3-Butoxy-1-propanol10215-33-568 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 4-Ethyl-3-hexanol19780-44-0 3-Octanol20296-29-1 Isooctan-1-ol26952-21-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia