Skip to Content
Merck
All Photos(1)

Documents

392898

Sigma-Aldrich

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

99 atom % D

Synonym(s):

Isopropanol-1,1,1,3,3,3-d6, Isopropyl-1,1,1,3,3,3-d6 alcohol

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
(CD3)2CHOH
CAS Number:
3976-29-2
Molecular Weight:
66.13
Beilstein:
1699397
MDL number:
MFCD00144521
UNSPSC Code:
12142201
PubChem Substance ID:
24864492
NACRES:
NA.21

isotopic purity

99 atom % D

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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.

Recommended products

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H336

Hazard Classifications

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

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

60.8 °F - closed cup

Flash Point(C)

16 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Vibrational and rotational spectra, conformations and ab initio calculations of thiocyanatoethene.
Beukes JA, et al.
Journal of Raman Spectroscopy, 26(8-9), 799-812 (1995)
Mass spectrometry in structural and stereochemical problems. CLXXXVIII. Electron impact induced behavior of branched ketones and esters, with special emphasis on hydrogen rearrangements.
Eadon G and Djerassi C.
Journal of the American Chemical Society, 92(10), 3084-3089 (1970)
Conformational analysis and vibrational spectra of isopropyl formate and some deuterated isotopomers.
Rosas RL, et al.
Journal of Raman Spectroscopy, 24(3), 143-165 (1993)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service