Cas no 285138-87-6 (Benzenemethanol-13C, a-(methyl-13C)- (9CI))

Benzenemethanol-13C, α-(methyl-13C)- (9CI) is a stable isotope-labeled compound used as a tracer in metabolic studies, nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry applications. The incorporation of carbon-13 at both the benzylic and α-methyl positions enhances its utility in tracking molecular pathways and elucidating reaction mechanisms with high precision. This labeled derivative is particularly valuable in pharmaceutical research, where isotopic labeling aids in drug metabolism and pharmacokinetic studies. Its high isotopic purity ensures minimal interference in analytical measurements, making it a reliable standard for quantitative and structural analyses. The compound’s stability and well-defined labeling pattern support reproducible experimental results in advanced chemical and biochemical research.
Benzenemethanol-13C, a-(methyl-13C)- (9CI) structure
285138-87-6 structure
Product Name:Benzenemethanol-13C, a-(methyl-13C)- (9CI)
CAS No:285138-87-6
MF:C8H10O
MW:124.149712085724
CID:248517
PubChem ID:24872652
Update Time:2025-05-28

Benzenemethanol-13C, a-(methyl-13C)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol-13C, a-(methyl-13C)- (9CI)
    • 1-phenylethanol
    • SEC-PHENETHYL-ALPHA BETA-13C2 ALCOHOL
    • 1-phenyl(13C2)ethanol
    • 1-phenyl(1,2-13C2)ethanol
    • 1-Phenylethanol-1,2-13C2
    • J-017113
    • 1-phenyl(1, 2-13C2)ethanol
    • AKOS015912977
    • Benzenemethanol-13C, alpha-(methyl-13C)- (9CI)
    • DTXSID30584005
    • 1-Phenyl(~13~C_2_)ethan-1-ol
    • 285138-87-6
    • 1-Phenylethanol-1,2-13C2, 99 atom % 13C
    • MDL： MFCD00084044
    • Inchi： 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1+1,7+1
    • InChI Key： WAPNOHKVXSQRPX-SPBYTNOZSA-N
    • SMILES： O[13CH]([13CH3])C1C=CC=CC=1

Computed Properties

  • Exact Mass: 124.079874609g/mol
  • Monoisotopic Mass: 124.079874609g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 74.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Liquid
  • Density: 1.030?g/mL?at 25?°C
  • Melting Point: 19-20?°C (lit.)
  • Boiling Point: 204?°C/745?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:185°F
    Degrees Celsius:85°C
  • Refractive Index: n20/D 1.532(lit.)
  • PSA: 20.23000
  • LogP: 1.73990
  • Solubility: Not determined

Benzenemethanol-13C, a-(methyl-13C)- (9CI) Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA02306-250mg
Benzenemethanol-13C, a-(methyl-13C)- (9CI)
 285138-87-6 -
250mg
 ￥7868.0 2024-07-19
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
491292-250MG
Benzenemethanol-13C, a-(methyl-13C)- (9CI)
 285138-87-6
250mg
 ￥6177.95 2023-12-05

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