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151971 Sigma-Aldrich

Octane-d18

98 atom % D

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Properties

Related Categories Additional NMR Solvents, Alphabetical Listings, N-O, NMR Solvents, NMR Solvents and Reagents,
Quality Level   200
isotopic purity   98 atom % D
assay   99% (CP)
form   liquid
expl. lim.   0.34-6.3 % (lit.)
application(s)   NMR: suitable
refractive index   n20/D 1.394 (lit.)
bp   125-127 °C
mp   -57 °C (lit.)
density   0.815 g/mL at 25 °C (lit.)
mass shift   M+18
SMILES string   [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI   1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
InChI key   TVMXDCGIABBOFY-VAZJTQEUSA-N

Description

General description

Octane-d18 is a deuterated NMR solvent. It is useful in NMR-based research and analyses. It can be prepared starting from n-octane. It undergoes H/D (Hydrogen/Deuterium) exchange reaction with mono pinacolboryl complex at 110°C.

Application

Octane-d18 has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).

Packaging

1, 5 g in ampule

Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
Target organs 
Central nervous system
RIDADR 
UN1262 - class 3 - PG 2 - Octanes
WGK Germany 
WGK 3
Flash Point(F) 
55.4 °F
Flash Point(C) 
13 °C
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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