Adenosine Triphosphate Disodium

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  • Identifiers

    CAS number
    987-65-5

    Molecular formula
    C10H14N5Na2O13P3

    SMILES
    C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 84.52%
    Clean 16.74%
    Savory 14.85%
    Cooling 14.74%
    Bitter 14.01%
    Alcoholic 13.43%
    Cooked 13.26%
    Sweet 12.11%
    Milky 11.86%
    Balsamic 11.6%

     

    Flavor
    Odorless 63.68%
    Bitter 37.52%
    Bland 33.01%
    Mild 31.16%
    Very mild 27.73%
    Sweet-like 22.02%
    Yeast 21.75%
    Faint 19.9%
    Urine 18.93%
    Formyl 18.82%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    3.34 (weak acid)

    Molecular weight
    551.14 g/mol

    Flash point

    • 416.57 ˚C est.

  • Synonyms

    • ATP disodium salt
    • Adenosine triphosphate disodium
    • Adenosine 5'-triphosphate disodium salt
    • Adetphos
    • Adetide
    • Triadesin A
    • Disodium ATP
    • Fosfobion disodium salt
    • Disodium dihydrogen ATP
    • Disodium adenosine triphosphate
    • ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), DISODIUM SALT
    • EINECS 213-579-1
    • NSC 20268
    • Adenosine triphosphate disodium [JAN]
    • Adenosine 5'-Triphosphate, disodium salt
    • Disodium adenosine 5'-triphosphate
    • Adenosine 5'-(disodium triphosphate)
    • Adenosine-5'-triphosphate disodium salt
    • Adenosine-5'-triphosphate, disodium salt
    • 5L51B4DR1G
    • DTXSID80891312
    • Adenosine-5'-(tetrahydrogen triphosphate), disodium salt
    • ADENOSINE TRIPHOSPHATE, DISODIUM SALT
    • NSC-20268
    • CHEBI:50732
    • Adenosine 5'-(tetrahydrogen triphosphate), sodium salt (1:2)
    • disodium adenosine-5'-triphosphate
    • ADENOSINE 5' TRIPHOSPHATE, DISODIUM SALT
    • ADENOSINE TRIPHOSPHATE, DISODIUM SALT [WHO-DD]
    • disodium 5'-O-(hydroxy((hydroxy(phosphonatooxy)phosphoryl)oxy)phosphoryl)adenosine
    • disodium 5'-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)adenosine
    • RefChem:553012
    • DTXCID901030471
    • DISODIUM ADENOSINE TRIPHOSPHATE [INCI]
    • 987-65-5
    • Triphosadenine
    • ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate, disodium salt
    • disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
    • Adenosine triphosphate disodium salt
    • Adenosine-5'-triphosphoric acid disodium salt
    • UNII-5L51B4DR1G
    • ATP 100mM solution
    • SCHEMBL574960
    • orb1308875
    • CHEMBL2106579
    • SCHEMBL29663097
    • HG1295
    • s1985
    • CCG-270004
    • CCG-270005
    • Adenosine 5'-triphosphate disodium salt (ATP)
    • Adenosine 5?-Triphosphate, Disodium Salt (ATP)
    • EN300-26868841
    • Q27122211
    • Disodium 5'-O-[hydroxy({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphoryl]adenosine
    • disodium hydrogen [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate
    • 987-65-5

  • Applications

    Adenosine Triphosphate Disodium (CAS 987-65-5) is used primarily as an energy source and substrate for ATP-dependent enzymes in research and development, notably in cell-free protein synthesis systems and enzymatic assays. It also serves as a substrate in kinase and phosphorylation studies, a standard or reference material for nucleotide quantification in analytical chemistry, and as a reagent in diagnostic and analytical kits that employ luminescence-based ATP detection.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.29
    methanol 1.21
    isopropanol 0.12
    water 2.05
    ethyl acetate 0.09
    n-propanol 0.26
    acetone 0.28
    n-butanol 0.16
    acetonitrile 0.28
    DMF 9.61
    toluene 0.02
    isobutanol 0.11
    1,4-dioxane 0.21
    methyl acetate 0.23
    THF 0.63
    2-butanone 0.35
    n-pentanol 0.07
    sec-butanol 0.14
    n-hexane 0.0
    ethylene glycol 2.58
    NMP 21.99
    cyclohexane 0.01
    DMSO 11.49
    n-butyl acetate 0.13
    n-octanol 0.04
    chloroform 0.06
    n-propyl acetate 0.1
    acetic acid 1.6
    dichloromethane 0.09
    cyclohexanone 0.43
    propylene glycol 2.04
    isopropyl acetate 0.04
    DMAc 8.17
    2-ethoxyethanol 1.24
    isopentanol 0.07
    n-heptane 0.01
    ethyl formate 0.37
    1,2-dichloroethane 0.06
    n-hexanol 0.07
    2-methoxyethanol 4.75
    isobutyl acetate 0.03
    tetrachloromethane 0.02
    n-pentyl acetate 0.08
    transcutol 0.99
    n-heptanol 0.09
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 1.49
    tert-butanol 0.08
    MTBE 0.02
    2-butoxyethanol 0.86
    propionic acid 0.78
    o-xylene 0.02
    formic acid 14.87
    diethyl ether 0.05
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.51
    n-octane 0.0
    formamide 14.23
    cyclopentanone 1.23
    2-pentanone 0.17
    anisole 0.04
    cyclopentyl methyl ether 0.13
    gamma-butyrolactone 2.12
    1-methoxy-2-propanol 2.03
    pyridine 0.32
    3-pentanone 0.2
    furfural 3.32
    n-dodecane 0.0
    diethylene glycol 3.75
    diisopropyl ether 0.01
    tert-amyl alcohol 0.09
    acetylacetone 0.23
    n-hexadecane 0.0
    acetophenone 0.11
    methyl propionate 0.32
    isopentyl acetate 0.06
    trichloroethylene 0.12
    n-nonanol 0.04
    cyclohexanol 0.1
    benzyl alcohol 0.08
    2-ethylhexanol 0.04
    isooctanol 0.04
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.5
    propylene carbonate 0.59
    n-methylformamide 5.77
    2-pentanol 0.07
    n-pentane 0.01
    1-propoxy-2-propanol 0.79
    1-methoxy-2-propyl acetate 0.28
    2-(2-methoxypropoxy) propanol 0.57
    mesitylene 0.01
    ε-caprolactone 0.47
    p-cymene 0.01
    epichlorohydrin 0.64
    1,1,1-trichloroethane 0.02
    2-aminoethanol 1.88
    morpholine-4-carbaldehyde 5.86
    sulfolane 8.43
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.17
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.72
    sec-butyl acetate 0.04
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 10.93
    diglyme 1.55
    acrylic acid 1.92
    isopropyl myristate 0.02
    n-butyric acid 0.39
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.11
    nitromethane 4.81
    1,2-diethoxyethane 0.09
    benzonitrile 0.08
    trioctyl phosphate 0.05
    1-bromopropane 0.03
    gamma-valerolactone 3.62
    n-decanol 0.03
    triethyl phosphate 0.12
    4-methyl-2-pentanol 0.02
    propionitrile 0.19
    vinylene carbonate 0.59
    1,1,2-trichlorotrifluoroethane 3.57
    DMS 0.13
    cumene 0.01
    2-octanol 0.04
    2-hexanone 0.11
    octyl acetate 0.04
    limonene 0.02
    1,2-dimethoxyethane 1.07
    ethyl orthosilicate 0.09
    tributyl phosphate 0.06
    diacetone alcohol 0.34
    N,N-dimethylaniline 0.04
    acrylonitrile 0.49
    aniline 0.07
    1,3-propanediol 1.37
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.12
    2-methyl-cyclohexyl acetate 0.08
    tetrabutyl urea 0.17
    diisobutyl methanol 0.02
    2-phenylethanol 0.07
    styrene 0.01
    dioctyl adipate 0.05
    dimethyl sulfate 1.98
    ethyl butyrate 0.12
    methyl lactate 1.73
    butyl lactate 0.38
    diethyl carbonate 0.09
    propanediol butyl ether 0.81
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.17
    morpholine 0.51
    tert-butylamine 0.02
    n-dodecanol 0.02
    dimethoxymethane 1.3
    ethylene carbonate 0.31
    cyrene 1.95
    2-ethoxyethyl acetate 0.15
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.14
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.62
    dimethyl isosorbide 1.18
    tetrachloroethylene 0.09
    eugenol 0.39
    triacetin 0.16
    span 80 0.32
    1,4-butanediol 0.43
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.04
    methyl formate 3.21
    2-methyl-1-butanol 0.1
    n-decane 0.0
    butyronitrile 0.11
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.24
    tetrahydropyran 0.1
    tert-amyl methyl ether 0.04
    2,5,8-trioxanonane 1.12
    1-hexene 0.01
    2-isopropoxyethanol 0.32
    2,2,2-trifluoroethanol 2.26
    methyl butyrate 0.2

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
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Leave-on products applied to the hair with some hand contact
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Category 3
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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
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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
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Category 5D
Baby Creams, baby Oils and baby talc
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Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
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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
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