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487694

Sigma-Aldrich

4-Hydroxy-4-methyl-2-pentanone-d12

98 atom % D

Synonym(s):

Diacetone alcohol-d12

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About This Item

Linear Formula:
(CD3)2C(OD)CD2COCD3
CAS Number:
114253-85-9
Molecular Weight:
128.23
MDL number:
MFCD00190463
UNSPSC Code:
12352202
PubChem Substance ID:
24872295

isotopic purity

98 atom % D

Assay

99% (CP)

refractive index

n20/D 1.423 (lit.)

bp

166 °C (lit.)

density

1.026 g/mL at 25 °C

mass shift

M+12

SMILES string

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

InChI

1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3/i1D3,2D3,3D3,4D2,8D

InChI key

SWXVUIWOUIDPGS-YDUIPVTMSA-N

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Warning

Hazard Statements

H226,H319,H335,H361fd

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

136.4 °F - closed cup

Flash Point(C)

58.00 °C - closed cup

Certificates of Analysis (COA)

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