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114253-85-9

114253-85-9 Structure

114253-85-9 Structure
IdentificationBack Directory
[Name]

4-HYDROXY-4-METHYL-2-PENTANONE-D12
[CAS]

114253-85-9
[Synonyms]

diacetone alcohol-d12
4-HYDROXY-4-METHYL-2-PENTANONE-D12
4-Hydroxy-4-Hydroxy-4-methyl-2-pentanone-D12
4-HYDROXY-4-METHYL-2-PENTANONE-D12, 98 A TOM % D
[Molecular Formula]

C6D12O2
[MDL Number]

MFCD00190463
[MOL File]

114253-85-9.mol
[Molecular Weight]

128.23
Chemical PropertiesBack Directory
[Boiling point ]

166 °C(lit.)
[density ]

1.028 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.423(lit.)
[Fp ]

143 °F
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[InChI]

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

SWXVUIWOUIDPGS-YDUIPVTMSA-N
[SMILES]

[2H]OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C([2H])([2H])[2H]
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38-36
[Safety Statements ]

26-36/37/39-24/25
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Repr. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

4-Hydroxy-4-methyl-2-pentanone-d12 (CAS# 114253-85-9) is a useful isotopically labeled research compound.
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