Dihexyl ether

C₁₂H₂₆OCAS 112-58-3186.34 g/mol

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Properties

Molecular formula: C₁₂H₂₆O
Molar mass: 186.34 g/mol
Exact mass: 186.1984 Da
Density: 0.7936 g/mL (at 20 °C)
Boiling point: 223 °C
logP: 4.16Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 10

Hazards

H413 May cause long lasting harmful effects to aquatic life90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

112-58-3

SMILES

CCCCCCOCCCCCC

InChIKey

BPIUIOXAFBGMNB-UHFFFAOYSA-N

InChI

InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3

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Names and synonyms

8 names

Hexane, 1,1′-oxybis-
Hexyl ether
1,1′-Oxybis[hexane]
Di-n-hexyl ether
n-Hexyl ether
Bis(1-hexyl) ether
NSC 9286
1-Hexoxyhexane

Work with Dihexyl 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

Octyl ether629-82-3100 % similar Pentyl ether693-65-293 % similar Dibutyl ether142-96-175 % similar 2-Hexoxyethanol112-25-471 % similar 2-(Octadecyloxy)ethanol2136-72-371 % similar 3-(Hexadecyloxy)propan-1-ol23377-40-471 % similar Polyethylene glycol lauryl ether6540-99-471 % similar 3-(Dodecyloxy)propylamine7617-74-571 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(±)-2-Dodecanol10203-28-8 Dodecanol112-53-8 2,6,8-Trimethyl-4-nonanol123-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook