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Merck
CN

175889

tert-Butanol-d10

greener alternative

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
NACRES:
NA.21
PubChem Substance ID:
24850535
UNSPSC Code:
12142201
EC Number:
258-288-0
MDL number:
MFCD00064244

Key Documents

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Product Name

tert-Butanol-d10, 99 atom % D

InChI key

DKGAVHZHDRPRBM-SGLLWXCUSA-N

InChI

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

SMILES string

[2H]OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

isotopic purity

99 atom % D

assay

99% (CP)

form

liquid

greener alternative product score

old score: 17
new score: 6
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greener alternative product characteristics

Atom Economy
Less Hazardous Chemical Syntheses
Inherently Safer Chemistry for Accident Prevention
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

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.)

application(s)

pharmaceutical

greener alternative category

Re-engineered

mass shift

M+10

Quality Level

200

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Related Categories

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.
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

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBF0710
MBBC8688
MBBD6134
MBBC5716
MBBC1999

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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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