tert-Butanol-d10
ALDRICH/175889 - 99 atom % D
Synonym: 2-
CAS Number: 53001-22-2
Empirical Formula (Hill Notation): C4D10O
Molecular Weight: 84.18
EC Number: 258-288-0
MDL Number: MFCD00064244
Linear Formula: (CD3)3COD
Product Type: Chemical
| assay | 99% (CP) |
| bp | 82 °C (lit.) |
| density | 0.893 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | ≤0.5% water water |
| InChI | 1S/C4H10O/c1-4(2,3)5/h5H, |
| InChI key | DKGAVHZHDRPRBM-SGLLWXCUSA |
| isotopic purity | 99 atom % D |
| mass shift | M+10 |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | [2H]OC(C([2H])([2H])[2H]) |
| technique(s) | NMR: suitable |
| Application: | tert-Butanol-d10 may be used in the synthesis of cyanoacetic acid-tert-butylester-d9 and tert-butoxide-d9 (BuOK-d9). |
| General description: | tert-Butanol-d10 (tert-Butyl alcohol-d10) is a deuterated derivative of tert-butanol. It participates in the synthesis of cyanoacetic acid-tert-butylester-d9. Conformational analysis of 2,3-dihydroxypropanoic acid in tert-butyl alcohol-d10 indicates the dominance of gauche-hydroxyl rotamers (92%) under low pH conditions. |
| Packaging: | 1, 5 g in ampule |
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| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 - H332 - H335 |
| Precautionary statements | P210 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-20-36/37 |
| Safety Statements | 9-16-46 |
| RIDADR | UN1120 - class 3 - PG 2 - Butanols |
| WGK Germany | WGK 3 |
| Flash Point(F) | 51.8 °F - closed cup |
| Flash Point(C) | 11 °C - closed cup |
| Purity | 99% (CP) |
| bp | 82 °C (lit.) |
| Density | 0.893 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |