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392898

Sigma-Aldrich

2-Propanol-1,1,1,3,3,3-d6

99 atom % D

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Synonym(s):
Isopropanol-1,1,1,3,3,3-d6, Isopropyl-1,1,1,3,3,3-d6 alcohol
Linear Formula:
(CD3)2CHOH
CAS Number:
Molecular Weight:
66.13
Beilstein/REAXYS Number:
1699397
MDL number:
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.374 (lit.)

bp

82 °C (lit.)

mp

-90 °C (lit.)

density

0.86 g/mL at 25 °C

mass shift

M+6

SMILES string

[2H]C([2H])([2H])C(O)C([2H])([2H])[2H]

InChI

1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3

InChI key

KFZMGEQAYNKOFK-WFGJKAKNSA-N

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1 of 4

This Item
615080175897490598
2-Propanol-1,1,1,3,3,3-d6 99 atom % D

392898

2-Propanol-1,1,1,3,3,3-d6

2-Propanol-OD 98 atom % D

615080

2-Propanol-OD

2-Propanol-d8 99.5 atom % D

175897

2-Propanol-d8

Propane-1,1,1,3,3,3-d6 98 atom % D

490598

Propane-1,1,1,3,3,3-d6

isotopic purity

99 atom % D

isotopic purity

98 atom % D

isotopic purity

99.5 atom % D

isotopic purity

98 atom % D

mass shift

M+6

mass shift

M+1

mass shift

M+8

mass shift

M+6

technique(s)

NMR: suitable

technique(s)

-

technique(s)

NMR: suitable

technique(s)

-

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

-

form

liquid

form

-

General description

2-Propanol-1,1,1,3,3,3-d6 is 2-propanol with the hydrogen atoms on the –CH3 groups replaced by deuterium. It has been reported to be synthesized by the reduction of per-deuterioacetone. Studies show that it exists in anti and gauche conformation.

Application

2-Propanol-1,1,1,3,3,3-d6 may be used in the synthesis of isotopomers of isopropylformate.

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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

60.8 °F - closed cup

flash_point_c

16 °C - closed cup


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Beukes JA, et al.
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