Synonym: Isopropanol-1,1,1,3,3,3-d6; Isopropyl-1,1,1,3,3,3-d6 alcohol
CAS Number: 3976-29-2
Empirical Formula (Hill Notation): C3D6H2O
Molecular Weight: 66.13
MDL Number: MFCD00144521
Linear Formula: (CD3)2CHOH
Product Type: Chemical
| assay |
99% (CP) |
| bp |
82 °C (lit.) |
| density |
0.86 g/mL at 25 °C |
| form |
liquid |
| InChI |
1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3 |
| InChI key |
KFZMGEQAYNKOFK-WFGJKAKNSA-N |
| isotopic purity |
99 atom % D |
| mass shift |
M+6 |
| mp |
-90 °C (lit.) |
| Quality Level |
200  |
| refractive index |
n20/D 1.374 (lit.) |
| SMILES string |
[2H]C([2H])([2H])C(O)C([2H])([2H])[2H] |
| technique(s) |
NMR: suitable |
| Application: |
2-Propanol-1,1,1,3,3,3-d6 may be used in the synthesis of isotopomers of isopropylformate. |
| General description: |
2-Propanol-1,1,1,3,3,3-d6 is 2-propanol with the hydrogen atoms on the –CH3 groups replaced by deuterium. It has been reported to be synthesized by the reduction of per-deuterioacetone. Studies show that it exists in anti and gauche conformation. |
| Other Notes: |
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| Packaging: |
1, 5 g in ampule |
| Purity |
99% (CP) |
| bp |
82 °C (lit.) |
| mp |
-90 °C (lit.) |
| Density |
0.86 g/mL at 25 °C |
| Refractive Index |
n20/D 1.374 (lit.) |
| UNSPSC |
12142201 |
GHS02,GHS07