Products 114253-85-9

CAS 114253-85-9 appears in our catalog under these names: 4-Hydroxy-4-methyl-2-pentanone-d12, >95% (GC), 4-Hydroxy-4-methyl-2-pentanone-d12, 99 atom % D, min 98% Chemical Purity. Offered by: TRC, CDN. Available pack sizes: 100mg, 10mg, 50mg, 1g.

4-Hydroxy-4-methyl-2-pentanone-d12, >95% (GC)
TRC
  • size: 100mg, 10mg, 50mg
  • Variants: 3
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4-Hydroxy-4-methyl-2-pentanone-d12, 99 atom % D, min 98% Chemical Purity
CDN
  • size: 1g
  • Variants: 1
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Structural formula: {0} (CAS {1})

1,1,1,3,3,5,5,5-octadeuterio-4-deuteriooxy-4-(trideuteriomethyl)pentan-2-one (CAS 114253-85-9) is a chemical compound with the molecular formula C6H12O2 and a molecular weight of 128.23 g/mol. IUPAC name: 1,1,1,3,3,5,5,5-octadeuterio-4-deuteriooxy-4-(trideuteriomethyl)pentan-2-one. InChIKey: SWXVUIWOUIDPGS-YDUIPVTMSA-N.

Identity
Molecular formulaC6H12O2
Molecular weight128.23 g/mol
IUPAC name1,1,1,3,3,5,5,5-octadeuterio-4-deuteriooxy-4-(trideuteriomethyl)pentan-2-one
InChIKeySWXVUIWOUIDPGS-YDUIPVTMSA-N
SMILES[2H]C([2H])([2H])C(=O)C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O[2H]

Computed by PubChem (NCBI)

Synonyms: Diacetone alcohol-d12, 4-Hydroxy-4-methyl-2-pentanone-d12, 1,1,1,3,3,5,5,5-octadeuterio-4-deuteriooxy-4-(trideuteriomethyl)pentan-2-one, 4-Hydroxy-4-methyl-2-pentanone-d12, 98 atom % D, 4-(~2~H)Hydroxy-4-(~2~H_3_)methyl(~2~H_8_)pentan-2-one
Related forms of this compound
4-hydroxy-4-methylpentan-2-one C6H12O2
Isomers (same molecular formula)
ethyl 2-methylpropanoate C6H12O2
4-ethenoxybutan-1-ol C6H12O2
2-(propan-2-yloxymethyl)oxirane C6H12O2
1-hydroxy-3,3-dimethylbutan-2-one C6H12O2
5,5-dimethyl-1,3-dioxane C6H12O2
1-(hydroxymethyl)cyclopentan-1-ol C6H12O2
(1-methoxycyclobutyl)methanol C6H12O2
3-(methoxymethyl)-3-methyloxetane C6H12O2
(2-methyloxolan-2-yl)methanol C6H12O2
[1-(hydroxymethyl)cyclobutyl]methanol C6H12O2
cyclohexane-1,3-diol C6H12O2