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Octane-d18

ALDRICH/151971 - 98 atom % D

CAS Number: 17252-77-6
Empirical Formula (Hill Notation): C8D18
Molecular Weight: 132.34
EC Number: 241-285-3
MDL Number: MFCD00037626
Linear Formula: CD3(CD2)6CD3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-151971-1G 1 g
 $0.00
1/EA
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45-151971-5G 5 g
 $0.00
1/EA
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assay 99% (CP)
bp 125-127 °C
density 0.815 g/mL at 25 °C (lit.)
expl. lim. 0.34-6.3 % (lit.)
form liquid
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
isotopic purity 98 atom % D
mass shift M+18
mp -57 °C (lit.)
Quality Level 200 
refractive index n20/D 1.394 (lit.)
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]
technique(s) NMR: suitable
Application: Octane-d18 has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).
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.
Other Notes: Check out ChemisTwin® , our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more  or reach out to us for a free trial .
Packaging: 1, 5 g in ampule
Packaging: 5×5 g in glass bottle
Purity 99% (CP)
bp 125-127 °C
mp -57 °C (lit.)
Density 0.815 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.394 (lit.)
UNSPSC 12142201

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