Phosphocreatine disodium salt

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  • Identifiers

    CAS number
    922-32-7

    Molecular formula
    C4H8N3Na2O5P

    SMILES
    CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.[Na+].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 77.43%
    Savory 27.52%
    Sweet 21.71%
    Cooling 20.41%
    Meaty 17.04%
    Cooked 16.48%
    Milky 16.25%
    Bitter 15.53%
    Clean 14.3%
    Alcoholic 13.86%

     

    Flavor
    Odorless 60.25%
    Mild 29.25%
    Bland 27.47%
    Very mild 24.85%
    Bitter 22.1%
    Yeast 21.64%
    Sweet-like 19.58%
    Bread crust 19.06%
    Mousy 19.06%
    Roasted peanuts 19.02%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    6.86 (neutral)

    Molecular weight
    255.08 g/mol

    Flash point

    • 196.06 ˚C est.

  • Synonyms

    • phosphocreatine disodium salt
    • 922-32-7
    • Creatine phosphate disodium salt
    • disodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid
    • Disodium Phosphocreatine Hydrate
    • disodium [(E)-{amino[(carboxymethyl)(methyl)amino]methylidene}amino]phosphonate
    • Phosphocreatine Disodium
    • Creatine phosphate disodium tetrahydrate
    • 19333-65-4
    • 6190-45-0
    • Creatine phosphate, disodium salt
    • orb1304371
    • SCHEMBL1640494
    • SCHEMBL30031412
    • disodium 2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid
    • AKOS024319114
    • AKOS030641062
    • FC05398
    • DB-057295
    • ST50409563
    • N11782
    • Q27266722
    • sodium (E)-(amino((carboxymethyl)(methyl)amino)methylene)phosphoramidate
    • 2-{[imino(phosphonoamino)methyl]methylamino}acetic acid, sodium salt, sodium s alt
    • Phosphocreatine Sodium SaltCreatine Phosphate Sodium SaltSodium Phosphocreatine
    • 922-32-7

  • Applications

    Phosphocreatine disodium salt (CAS 922-32-7) is primarily used as a biochemical reagent in vitro, providing a phosphocreatine source for the creatine kinase system to regenerate ATP in cell-free enzyme assays and energy metabolism studies. In diagnostic kit development and enzyme assay design, it serves as a substrate and reference material for enzyme tests. It is also used as a reference standard in analytical biochemistry and as a teaching aid to illustrate phosphorylation and energy transfer by enzymes. Overall, its applications reflect its role as a phosphagen in in vitro systems, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.49
    methanol 9.7
    isopropanol 0.83
    water 14.66
    ethyl acetate 0.41
    n-propanol 1.09
    acetone 2.15
    n-butanol 0.74
    acetonitrile 0.66
    DMF 14.33
    toluene 0.17
    isobutanol 0.53
    1,4-dioxane 0.6
    methyl acetate 0.71
    THF 2.65
    2-butanone 1.09
    n-pentanol 0.3
    sec-butanol 0.56
    n-hexane 0.05
    ethylene glycol 6.36
    NMP 17.92
    cyclohexane 0.07
    DMSO 53.58
    n-butyl acetate 0.5
    n-octanol 0.16
    chloroform 0.69
    n-propyl acetate 0.23
    acetic acid 2.24
    dichloromethane 1.12
    cyclohexanone 1.19
    propylene glycol 2.9
    isopropyl acetate 0.23
    DMAc 11.08
    2-ethoxyethanol 2.03
    isopentanol 0.42
    n-heptane 0.07
    ethyl formate 2.14
    1,2-dichloroethane 0.81
    n-hexanol 0.53
    2-methoxyethanol 10.0
    isobutyl acetate 0.06
    tetrachloromethane 0.51
    n-pentyl acetate 0.22
    transcutol 1.12
    n-heptanol 0.29
    ethylbenzene 0.09
    MIBK 0.36
    2-propoxyethanol 2.57
    tert-butanol 0.88
    MTBE 0.21
    2-butoxyethanol 1.07
    propionic acid 1.21
    o-xylene 0.22
    formic acid 23.0
    diethyl ether 0.31
    m-xylene 0.14
    p-xylene 0.1
    chlorobenzene 0.14
    dimethyl carbonate 1.17
    n-octane 0.02
    formamide 25.42
    cyclopentanone 2.97
    2-pentanone 0.8
    anisole 0.19
    cyclopentyl methyl ether 0.6
    gamma-butyrolactone 3.61
    1-methoxy-2-propanol 3.4
    pyridine 0.89
    3-pentanone 0.61
    furfural 7.11
    n-dodecane 0.01
    diethylene glycol 5.48
    diisopropyl ether 0.07
    tert-amyl alcohol 0.7
    acetylacetone 1.18
    n-hexadecane 0.01
    acetophenone 0.46
    methyl propionate 0.86
    isopentyl acetate 0.32
    trichloroethylene 1.06
    n-nonanol 0.15
    cyclohexanol 0.42
    benzyl alcohol 0.38
    2-ethylhexanol 0.24
    isooctanol 0.14
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.22
    ethyl lactate 0.65
    propylene carbonate 1.53
    n-methylformamide 11.47
    2-pentanol 0.29
    n-pentane 0.06
    1-propoxy-2-propanol 1.22
    1-methoxy-2-propyl acetate 0.74
    2-(2-methoxypropoxy) propanol 0.9
    mesitylene 0.11
    ε-caprolactone 0.95
    p-cymene 0.16
    epichlorohydrin 2.39
    1,1,1-trichloroethane 0.37
    2-aminoethanol 5.04
    morpholine-4-carbaldehyde 5.4
    sulfolane 13.41
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.77
    n-hexyl acetate 0.21
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 0.88
    sec-butyl acetate 0.1
    tert-butyl acetate 0.3
    decalin 0.02
    glycerin 9.56
    diglyme 1.76
    acrylic acid 1.96
    isopropyl myristate 0.08
    n-butyric acid 1.03
    acetyl acetate 0.3
    di(2-ethylhexyl) phthalate 0.24
    ethyl propionate 0.29
    nitromethane 5.54
    1,2-diethoxyethane 0.18
    benzonitrile 0.29
    trioctyl phosphate 0.23
    1-bromopropane 0.31
    gamma-valerolactone 4.17
    n-decanol 0.11
    triethyl phosphate 0.44
    4-methyl-2-pentanol 0.15
    propionitrile 0.47
    vinylene carbonate 1.31
    1,1,2-trichlorotrifluoroethane 7.29
    DMS 0.31
    cumene 0.07
    2-octanol 0.11
    2-hexanone 0.32
    octyl acetate 0.14
    limonene 0.21
    1,2-dimethoxyethane 2.2
    ethyl orthosilicate 0.32
    tributyl phosphate 0.24
    diacetone alcohol 1.26
    N,N-dimethylaniline 0.27
    acrylonitrile 0.98
    aniline 0.43
    1,3-propanediol 3.97
    bromobenzene 0.12
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 1.07
    2-methyl-cyclohexyl acetate 0.29
    tetrabutyl urea 0.5
    diisobutyl methanol 0.13
    2-phenylethanol 0.49
    styrene 0.08
    dioctyl adipate 0.15
    dimethyl sulfate 4.57
    ethyl butyrate 0.39
    methyl lactate 2.56
    butyl lactate 0.58
    diethyl carbonate 0.3
    propanediol butyl ether 0.9
    triethyl orthoformate 0.3
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 0.69
    morpholine 1.1
    tert-butylamine 0.36
    n-dodecanol 0.07
    dimethoxymethane 3.76
    ethylene carbonate 0.82
    cyrene 1.99
    2-ethoxyethyl acetate 0.32
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 0.65
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.13
    DEF 1.68
    dimethyl isosorbide 2.02
    tetrachloroethylene 1.3
    eugenol 0.86
    triacetin 0.3
    span 80 0.51
    1,4-butanediol 1.06
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.2
    methyl formate 9.06
    2-methyl-1-butanol 0.45
    n-decane 0.02
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 0.83
    tetrahydropyran 0.35
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 1.35
    1-hexene 0.09
    2-isopropoxyethanol 0.58
    2,2,2-trifluoroethanol 3.7
    methyl butyrate 0.49

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
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Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
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Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction