Cas no 64118-37-2 (Pentanoic-2,2-d2 Acid)

Pentanoic-2,2-d2 Acid is a deuterated variant of valeric acid, where two hydrogen atoms at the 2-position are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise molecular tracking. The incorporation of deuterium also reduces metabolic degradation in studies involving kinetic isotope effects, making it valuable in mechanistic and metabolic research. Its high isotopic purity ensures minimal interference in analytical applications. The compound is particularly useful in pharmaceutical and biochemical research, where stable isotopic labeling is critical for elucidating reaction pathways or studying drug metabolism.
Pentanoic-2,2-d2 Acid structure
Pentanoic-2,2-d2 Acid structure
Product Name:Pentanoic-2,2-d2 Acid
CAS No:64118-37-2
MF:C5H10O2
MW:102.1317
CID:500081
Update Time:2025-10-23

Pentanoic-2,2-d2 Acid Chemical and Physical Properties

Names and Identifiers

    • Pentanoic-2,2-d2 acid(9CI)
    • VALERIANIC ACID
    • [2,2'-Biquinoxaline]-3,3'(4H,4'H)-dione
    • < 2,2'-Bichinoxalin> -3,3'-(4H,4'H)-dion
    • 2,2-dideuterio-pentanoic acid
    • 4H,4'H-[2,2']biquinoxalinyl-3,3'-dione
    • Pentansaeure
    • Valeriansaeure-2,2-d(2)
    • Valeric acid
    • PENTANOIC ACID
    • n-Valeric acid
    • n-Pentanoic acid
    • 1-Butanecarboxylic acid
    • Propylacetic acid
    • Butanecarboxylic acid
    • pentoic acid
    • Kyselina valerova
    • VALERIC ACID, N-
    • Valeric acid, normal
    • n-Pentanoate
    • Kyselina valerova [Czech]
    • Valerate
    • Valeriansaeure
    • n-Valerate
    • 1-pentanoic acid
    • n-C4H9COOH
    • GZK92PJM7B
    • CH3-[CH2]3-COOH
    • C5:0
    • DSSTox_CID_1655
    • DSSTox_RID_76267
    • DSSTox_GSID_21655
    • VALERICACID
    • Pentanoic-2,2-d2 Acid
    • Inchi： 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
    • InChI Key： NQPDZGIKBAWPEJ-UHFFFAOYSA-N
    • SMILES： O([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 59.1
  • XLogP3: 1.4
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 0.939?g/mL?at 25?°C(lit.)
  • Melting Point: ?20-?18?°C(lit.)
  • Boiling Point: 110-111?°C10?mm Hg(lit.)
  • Flash Point: 192?°F
  • Refractive Index: n20/D 1.408(lit.)
  • Vapor Pressure: 0.15 mm Hg ( 20 °C)

Pentanoic-2,2-d2 Acid Security Information

  • Hazardous Material transportation number：UN 3265 8/PG 3
  • WGK Germany：1
  • Hazard Category Code： 34-52/53
  • Safety Instruction： 26-36-45-61
  • FLUKA BRAND F CODES：13
  • RTECS：YV6100000
  • Hazardous Material Identification： C
  • Risk Phrases：34-52/53

Pentanoic-2,2-d2 Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
V091416-10mg
Pentanoic-2,2-d2 Acid
 64118-37-2
10mg
 $ 64.00 2023-09-05
TRC
V091416-50mg
Pentanoic-2,2-d2 Acid
 64118-37-2
50mg
 $ 87.00 2023-09-05
TRC
V091416-100mg
Pentanoic-2,2-d2 Acid
 64118-37-2
100mg
 $ 123.00 2023-09-05
A2B Chem LLC
AG66038-500mg
Pentanoic-2,2-d2 Acid
 64118-37-2
500mg
 $445.00 2024-04-19
A2B Chem LLC
AG66038-1g
Pentanoic-2,2-d2 Acid
 64118-37-2
1g
 $645.00 2024-04-19

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