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
12 Principles of Green Chemistry: Principle 2—Atom Economy. This product was designed to maximize the incorporation of all raw materials used in the manufacturing process.
12 Principles of Green Chemistry: Principle 3—Less Hazardous Chemical Syntheses. This product manufacturing process was designed with lesser toxicity to human health and the environment.
12 Principles of Green Chemistry: Principle 12—Inherently Safer Chemistry for Accident Prevention. This product utilizes safer chemistry to minimize the potential for chemical accidents, including releases, explosions and fires.
| application(s) | pharmaceutical |
| assay | 99% (CP) |
| bp | 82 °C (lit.) |
| density | 0.893 g/mL at 25 °C (lit.) |
| form | liquid |
| greener alternative category | Re-engineered  |
| greener alternative product characteristics | Atom Economy Less Hazardous Chemical Syntheses Inherently Safer Chemistry for Accident Prevention Learn more about the Principles of Green Chemistry . |
| greener alternative product score | old score: 17 new score: 6 Find out more about DOZN™ Scoring |
| 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]) |
| sustainability | Greener Alternative Product |
| 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. |
| General description: | We are committed to bringing you Greener Alternative Products that adhere to one of the four categories of Greener Alternatives. This product belongs to the category of Re-engineered Products, demonstrating key improvements in Green Chemistry Principles such as ′Atom Economy′, ′Less Hazardous Chemical Synthesis′, and ′Inherently Safer Chemistry for Accident Prevention.′ Click here to view its DOZN scorecard. |
| 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: | 1, 5 g in ampule |
| 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 |