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
| 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 |
| InChI key | TVMXDCGIABBOFY-VAZJTQEUSA |
| isotopic purity | 98 atom % D |
| mass shift | M+18 |
| mp | -57 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | [2H]C([2H])([2H])C([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. |
| Packaging: | 1, 5 g in ampule |
| Packaging: | 5×5 g in glass bottle |
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| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H336 - H410 |
| Precautionary statements | P210 - P273 - P301 + P310 + P331 - P302 + P352 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN1262 - class 3 - PG 2 - Octanes |
| WGK Germany | WGK 3 |
| Flash Point(F) | 55.4 °F |
| Flash Point(C) | 13 °C |
| Purity | 99% (CP) |
| bp | 125-127 °C |
| mp | -57 °C (lit.) |
| Density | 0.815 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |