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175889 Sigma-Aldrich

tert-Butanol-d10

99 atom % D

Synonym: 2-Methyl-2-propanol-d10, tert-Butyl alcohol-d10

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Properties

Related Categories Additional NMR Solvents, Alphabetical Listings, B, NMR Solvents, NMR Solvents and Reagents,
Quality Level   200
isotopic purity   99 atom % D
assay   99% (CP)
form   liquid
impurities   ≤0.5% water
water
refractive index   n20/D 1.3835 (lit.)
bp   82 °C (lit.)
density   0.893 g/mL at 25 °C (lit.)
mass shift   M+10
SMILES string   [2H]OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI   1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D
InChI key   DKGAVHZHDRPRBM-SGLLWXCUSA-N

Description

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.

Application

tert-Butanol-d10 may be used in the synthesis of cyanoacetic acid-tert-butylester-d9 and tert-butoxide-d9 (BuOK-d9).

Packaging

1, 5 g in ampule

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
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
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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