53001-22-2

Basic information

• Product Name: TERT-BUTANOL-D10
• Synonyms: TERT-BUTANOL-D10;TERT-BUTYL ALCOHOL-D10;2-METHYL-2-PROPANOL-D10;(2H10)-2-methylpropan-2-ol;2-METHYL-2-PROPANOL-D10, 99+ ATOM % D;TERT-BUTANOL-D10 99 ATOM % D;tBu-OH,d10;2-Methyl-2-propanol-d10, tert-Butyl alcohol-d10
• CAS NO: 53001-22-2
• Molecular Formula: C₄H₁₀O
• Molecular Weight: 84.18
• EINECS: 258-288-0
• Product Categories: Additional NMR Solvents;Aldrich High Purity NMR Solvents for Routine NMR;Alphabetical Listings;B;High Throughput NMR;Labware;NMR;NMR Solvents;NMR Solvents and Reagents;Routine NMR;Solvent by Application;Solvents;Solvents for High Throughput NMR;Spectroscopy Solvents (IR;Stable Isotopes;Tubes and Accessories;UV/Vis)
• Mol File: 53001-22-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 82 °C(lit.)
• Flash Point: 52 °F
• Appearance: /
• Density: 0.893 g/mL at 25 °C(lit.)
• Vapor Pressure: 46mmHg at 25°C
• Refractive Index: n20/D 1.3835(lit.)
• Storage Temp.: Flammables area
• CAS DataBase Reference: TERT-BUTANOL-D10(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTANOL-D10(53001-22-2)
• EPA Substance Registry System: TERT-BUTANOL-D10(53001-22-2)

Safety Data

• Hazard Codes: F,Xn
• Statements: 11-20-36/37
• Safety Statements: 9-16-46
• RIDADR: UN 1120 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 53001-22-2(Hazardous Substances Data)

Usage

Chemical Properties

TERT-BUTANOL-D10 is clear colorless liquid

Uses

Different sources of media describe the Uses of 53001-22-2 differently. You can refer to the following data:
1. TERT-BUTANOL-D10 is used as an internal standard for the quantification of Tert-butanol by GC- or LC-mass spectrometry
2. 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.

InChI:InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D

Upstream product

• 666-52-4 [⁽²⁾H₆]acetone 
• 41251-37-0 methyl-d3-magnesium iodide 

Downstream Products

• 96808-03-6 2-methyl-2-propyl-d9 phenyl sulfide 
• 1246816-88-5 2-d-4,6-bis(1,1,1,3,3,3-d₆-2-(methyl-d₃)propan-2-yl)phenol 
• 1383561-36-1 d₉-tert-butylbenzotriazolyl carbonate 
• 1190006-35-9 C₁₁H₄⁽²⁾H₉NO₅ 
• 1257832-74-8 4-bromo-2-(2-(methyl-d₃)propan-2-yl-1,1,1,3,3,3-d₆)phenol 
• 56700-69-7 (2,4,6-trimethyl-phenyl)-carbamic acid tert-butyl ester 
• 918-20-7 tert-butyl chloride-d9 
• 20762-54-3 isobutene-d8 

Relevant articles and documents

Total-deuteration tert butyl alcohol preparation method

The invention discloses a total-deuteration tert butyl alcohol preparation method which comprises the following steps: firstly, making deuterium methyl magnesium iodide and deuteration acetone performGrignard reaction in anhydrous tetrahydrofuran under the existence of anhydrous manganese chloride; then hydrolyzing a reaction product under the acid condition to generate total-deuteration tert butyl alcohol, wherein the acid condition is formed by a heavy water solution which deuteration acid is added in. The total-deuteration tert butyl alcohol preparation method disclosed by the invention has the advantages of moderate reaction condition, high reaction yield, ability in obtaining abundant total-deuteration tert butyl alcohol and simpleness in technological operation.

DEHYDRATION OF ALCOHOLS ON ALUMINA-12

Primary kinetic isotope effects of the dehydration from the gas phase of tertiary, secondary and iso-butanol on alumina have been easured between 120 and 230 C. The deuteration on the hydroxyl group does not give rise to an isotope effect, whereas substitution of the !-proton by deuterium produces an appreciable effect. Below 200 C primary, secondary, and tertiary alcohols are dehydrated via reaction intermediates over alumina which presumably contain a certain degree of ionic contributions. With increasing temperature these ionic contributions are favored.