Di(2-ethylhexyl)ether

C₁₆H₃₄OCAS 10143-60-9242.45 g/mol

Properties

Molecular formula: C₁₆H₃₄O
Molar mass: 242.45 g/mol
Exact mass: 242.2610 Da
Boiling point: 269.4 °C
logP: 5.44Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 12

Hazards

Not classified as hazardous under GHS by 49 ECHA notifiers. Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

10143-60-9

SMILES

CCCCC(CC)COCC(CC)CCCC

InChIKey

YHCCCMIWRBJYHG-UHFFFAOYSA-N

InChI

InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.45 (d, J = 7.0 Hz, 4H), 1.88 (sept, J = 7.0 Hz, 2H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (quint, J = 7.0 Hz, 4H), 0.86 (t, J = 7.0 Hz, 6H), 0.86 (t, J = 7.0 Hz, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 74.9, 38.4, 30.7, 30.3, 24.1, 23.4, 14.0, 11.8.

[M + H]+

[M + H]+ Calcd for C16H35O 243.2682

[M + Na]+

[M + Na]+ Calcd for C16H34NaO 265.2502

[M − H]−

[M − H]− Calcd for C16H33O 241.2537

Elemental analysis

Anal. Calcd for C16H34O: C, 79.27; H, 14.14.