Cas no 114253-85-9 (4-Hydroxy-4-methyl-2-pentanone-d12)

4-Hydroxy-4-methyl-2-pentanone-d12 structure
114253-85-9 structure
Product Name:4-Hydroxy-4-methyl-2-pentanone-d12
CAS No:114253-85-9
MF:C6H12O2
MW:128.232222557068
CID:106225
PubChem ID:10701857
Update Time:2025-04-18

4-Hydroxy-4-methyl-2-pentanone-d12 Chemical and Physical Properties

Names and Identifiers

    • 2-Pentanone-1,1,1,3,3,5,5,5-d8,4-(hydroxy-d)-4-(methyl-d3)- (6CI,9CI)
    • 4-HYDROXY-4-METHYL-2-PENTANONE, [D12]
    • 487694_ALDRICH
    • 4-Hydroxy-4-methyl-2-pentanone-d12
    • d12-4-hydroxy-4-methyl-2-pentanone
    • Diacetone alcohol-d12
    • Octadeuterio-4-deuteriooxy-4-trideuteriomethyl-pentan-2-on
    • octadeuterio-4-deuteriooxy-4-trideuteriomethyl-pentan-2-one
    • 4-Hydroxy-4-Hydroxy-4-methyl-2-pentanone-D12
    • 4-HYDROXY-4-METHYL-2-PENTANONE-D12, 98 A TOM % D
    • DTXSID10443621
    • 4-Hydroxy-4-methyl-2-pentanone-d12, 98 atom % D
    • 114253-85-9
    • D98432
    • 1,1,1,3,3,5,5,5-octadeuterio-4-deuteriooxy-4-(trideuteriomethyl)pentan-2-one
    • 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
    • SMILES： O([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 140.23424
  • Monoisotopic Mass: 128.159050573g/mol
  • Isotope Atom Count: 12
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 94.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: -0.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.028?g/mL?at 25?°C(lit.)
  • Boiling Point: 166?°C(lit.)
  • Flash Point: 143?°F
  • Refractive Index: n20/D 1.423(lit.)
  • PSA: 26.3
  • LogP: 0.73640
  • Solubility: Not determined

4-Hydroxy-4-methyl-2-pentanone-d12 Security Information

4-Hydroxy-4-methyl-2-pentanone-d12 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D679901-10mg
4-Hydroxy-4-methyl-2-pentanone-d12
 114253-85-9
10mg
 $ 64.00 2023-09-07
TRC
D679901-50mg
4-Hydroxy-4-methyl-2-pentanone-d12
 114253-85-9
50mg
 $ 86.00 2023-09-07
TRC
D679901-100mg
4-Hydroxy-4-methyl-2-pentanone-d12
 114253-85-9
100mg
 $ 109.00 2023-09-07

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