Cas no 68661-16-5 (Phenylacetic-13C2 Acid)

Phenylacetic-13C2 Acid is a stable isotope-labeled variant of phenylacetic acid, where two carbon atoms are replaced with the 13C isotope. This compound is primarily used as an internal standard in mass spectrometry and NMR spectroscopy, ensuring high precision in quantitative analysis due to its minimal isotopic interference. Its labeled structure allows for accurate tracking in metabolic studies and pharmaceutical research. The product offers excellent chemical purity and isotopic enrichment, making it suitable for applications requiring traceability and sensitivity. Its stability and compatibility with analytical techniques enhance reproducibility in experimental workflows, supporting reliable data interpretation in complex biological and chemical matrices.
Phenylacetic-13C2 Acid structure
Phenylacetic-13C2 Acid structure
Product Name:Phenylacetic-13C2 Acid
CAS No:68661-16-5
MF:C8H8O2
MW:138.133232116699
CID:820776
PubChem ID:12198010
Update Time:2025-10-29

Phenylacetic-13C2 Acid Chemical and Physical Properties

Names and Identifiers

    • Phenylacetic acid-1,2-13C2
    • DTXSID30480053
    • Phenylacetic acid-1,2-13C2, 99 atom % 13C
    • PHENYL(ACETIC ACID-13C2)
    • Phenylacetic acid - 13C2
    • 68661-16-5
    • 99 atom % 13C
    • Phenylacetic-13C2 Acid
    • Inchi： 1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/i6+1,8+1
    • InChI Key： WLJVXDMOQOGPHL-ANVYNZRWSA-N
    • SMILES： O[13C]([13CH2]C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 138.059139164g/mol
  • Monoisotopic Mass: 138.059139164g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 114
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.089?g/mL?at 25?°C
  • Melting Point: 77-79?°C(lit.)
  • Boiling Point: 265?°C(lit.)

Phenylacetic-13C2 Acid Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • Hazardous Material Identification： Xi

Phenylacetic-13C2 Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
293857-1G
Phenylacetic-13C2 Acid
 68661-16-5
1g
 ￥9891.09 2023-12-09
TRC
P335573-25mg
Phenylacetic-13C2 Acid
 68661-16-5
25mg
 $ 80.00 2022-06-03
TRC
P335573-50mg
Phenylacetic-13C2 Acid
 68661-16-5
50mg
 $ 150.00 2022-06-03
TRC
P335573-100mg
Phenylacetic-13C2 Acid
 68661-16-5
100mg
 $ 275.00 2022-06-03
SHENG KE LU SI SHENG WU JI SHU
sc-236371-1 g
Phenylacetic acid-1,2-13C2,
 68661-16-5
1g
 ￥4385.00 2023-06-20

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