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)
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
Catalytic, thermal, regioselective functionalization of alkanes and arenes with borane reagents.
Hartwig JF.
ACS Symp. Ser., 136-154 (2004)
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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