Cas no 89059-34-7 (Phenol-13C6)

Phenol-13C6 structure
Phenol-13C6 structure
Product Name:Phenol-13C6
CAS No:89059-34-7
MF:C6H6O
MW:100.067170619965
CID:710919
PubChem ID:12205407
Update Time:2024-10-26

Phenol-13C6 Chemical and Physical Properties

Names and Identifiers

    • Phenol-1,2,3,4,5,6-13C6
    • Phenol-13C6
    • PHENOL (13C6)
    • Benzenol-13C6
    • Hydrozybenzene-13C6
    • Phenol-13C6 (9CI)
    • [13C6]-Phenol
    • AKOS040756191
    • Phenol-13C6, 99 atom % 13C
    • Phenol 13C6
    • ISWSIDIOOBJBQZ-IDEBNGHGSA-N
    • SCHEMBL14134295
    • Phenol-1,2,3,4,5,6-13C6; Phenol-13C6 (9CI); [13C6]-Phenol; Phenol (13C6); Phenol 13C6
    • 89059-34-7
    • DTXSID90480397
    • (1,2,3,4,5,6-13C6)cyclohexatrienol
    • Inchi: 1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1+1,2+1,3+1,4+1,5+1,6+1
    • InChI Key: ISWSIDIOOBJBQZ-IDEBNGHGSA-N
    • SMILES: O[13C]1[13CH]=[13CH][13CH]=[13CH][13CH]=1

Computed Properties

  • Exact Mass: 100.06200
  • Monoisotopic Mass: 100.06199382g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 46.1
  • 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: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.139?g/mL?at 25?°C
  • Melting Point: 40-42?°C(lit.)
  • Boiling Point: 182?°C(lit.)
  • Flash Point: 79?°C
  • Refractive Index: 1.553
  • PSA: 20.23000
  • LogP: 1.39220
  • Solubility: Not determined
  • Vapor Pressure: No data available

Phenol-13C6 Security Information

Phenol-13C6 Pricemore >>

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Phenol-13C6 Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Tyrosine phenol-lyase
Reference
Targeted growth medium dropouts promote aromatic compound synthesis in crude E. coli cell-free systems
Mohr, Benjamin ; Giannone, Richard J. ; Hettich, Robert L. ; Doktycz, Mitchel J., ACS Synthetic Biology, 2020, 9(11), 2986-2997

Phenol-13C6 Raw materials

Phenol-13C6 Preparation Products

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