151971
辛烷-d18
98 atom % D
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关于此项目
线性分子式:
CD3(CD2)6CD3
化学文摘社编号:
分子量:
132.34
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12142201
EC Number:
241-285-3
MDL number:
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+18
Form:
liquid
InChI key
TVMXDCGIABBOFY-VAZJTQEUSA-N
InChI
1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
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]
isotopic purity
98 atom % D
assay
99% (CP)
form
liquid
expl. lim.
0.34-6.3 % (lit.)
Quality Level
technique(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
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).
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.
signalword
Danger
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
55.4 °F - closed cup
flash_point_c
13 °C - closed cup
法规信息
危险化学品
此项目有
The Synthesis and Properties of n-Octane-d18 and 2, 2, 4-Trimethylpentane-d181.
Dixon JA and Marr JW.
The Journal of Organic Chemistry, 28(11), 3085-3087 (1963)
Catalytic, thermal, regioselective functionalization of alkanes and arenes with borane reagents.
Hartwig JF.
ACS Symp. Ser., 136-154 (2004)
Gregory P Horne et al.
Dalton transactions (Cambridge, England : 2003), 48(30), 11547-11555 (2019-07-12)
We report a 31P NMR investigation into the activated radioprotection mechanism of octylphenyl-N,N-diisobutyl-carbamoylmethyl phosphine oxide (CMPO) and analogues in the presence of a gamma radiation field. CMPO exhibits significantly enhanced radiation resistance in the presence of high nitric acid concentrations
Deuterium Tracer Studies and Gas Chromatography-Mass Spectrometry Analysis of Deuterated Products during Fischer-Tropsch Synthesis.
Shi B, et al.
Topics in Catalysis, 57(6-9), 460-469 (2014)
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