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Sigma-Aldrich

tert-Butanol-d10

99 atom % D

Synonym(s):

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

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About This Item

Linear Formula:
(CD3)3COD
CAS Number:
53001-22-2
Molecular Weight:
84.18
EC Number:
258-288-0
MDL number:
MFCD00064244
UNSPSC Code:
12142201
PubChem Substance ID:
24850535
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

200

Assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

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

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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).

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H332,H335,H336

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

WGK

WGK 1

Flash Point(F)

51.8 °F

Flash Point(C)

11 °C

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Silacyclobutane as ?Carbanion Pump? in Anionic Polymerization. III. Synthesis of Di-and Tri-block Copolymer by ?Diphenylsilacyclobutane-Potassium tert-Butoxide System
Hyun J-Y and Kawakami Y
Polymer Journal, 36(10), 856-865 (2004)
Thorsten W Jaskolla et al.
Journal of the American Society for Mass Spectrometry, 22(6), 976-988 (2011-09-29)
This work experimentally verifies and proves the two long since postulated matrix-assisted laser desorption/ionization (MALDI) analyte protonation pathways known as the Lucky Survivor and the gas phase protonation model. Experimental differentiation between the predicted mechanisms becomes possible by the use
Michael D Drake et al.
Magnetic resonance in chemistry : MRC, 44(3), 210-219 (2006-02-16)
Vicinal (1)H--(1)H coupling constants were used to determine the conformational preferences of 2,3-dihydroxypropanoic acid (1) (DL-glyceric acid) in various solvents and its different carboxyl ionization states. The stereospecific assignments of J(12) and J(13) were confirmed through the point-group substitution of

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