Pentane-d12
ALDRICH/490482 - 98 atom % D
CAS Number: 2031-90-5
Empirical Formula (Hill Notation): C5D12
Molecular Weight: 84.22
MDL Number: MFCD00190495
Linear Formula: CD3(CD2)3CD3
Product Type: Chemical
| assay | 99% (CP) |
| bp | 36 °C (lit.) |
| density | 0.731 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C5H12/c1-3-5-4-2/h3-5H |
| InChI key | OFBQJSOFQDEBGM-HYVJACIRSA |
| isotopic purity | 98 atom % D |
| mass shift | M+12 |
| mp | -130 °C (lit.) |
| Quality Level | 200 ![]() |
| refractive index | n |
| SMILES string | [2H]C([2H])([2H])C([2H])( |
| technique(s) | NMR: suitable |
| General description: | Pentane-d12 is a deuterated NMR solvent useful in NMR-based research and analyses. |
| 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: | 5, 5×5 g in glass bottle |
| Symbol | ![]() ![]() GHS02,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H336 |
| Precautionary statements | P210 - P301 + P310 + P331 |
| Hazard Codes | F |
| Risk Statements | 11 |
| Safety Statements | 16 |
| RIDADR | UN1265 - class 3 - PG 2 - Pentanes |
| WGK Germany | WGK 3 |
| Flash Point(F) | -56.2 °F - closed cup |
| Flash Point(C) | -49.00 °C - closed cup |
| Purity | 99% (CP) |
| bp | 36 °C (lit.) |
| mp | -130 °C (lit.) |
| Density | 0.731 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |




