Trisodium resveratrol triphosphate

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  • Identifiers

    CAS number
    783306-37-6

    Molecular formula
    C14H12Na3O12P3

    SMILES
    C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-].[Na+].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.41%
    Balsamic 31.85%
    Green 25.1%
    Clean 20.7%
    Floral 18.68%
    Phenolic 17.68%
    Fresh 16.2%
    Sweet 16.07%
    Aromatic 15.81%
    Animal 15.05%

     

    Flavor
    Odorless 60.13%
    Mild 37.64%
    Sour 30.42%
    Very mild 25.18%
    Faint 24.86%
    Bland 23.9%
    Nutty 22.94%
    Yeast 21.21%
    Phenolic 21.14%
    Urine 20.58%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.21 (weak acid)

    Molecular weight
    534.13 g/mol

    Flash point

    • 390.8 ˚C est.

  • Synonyms

    • Trisodium resveratrol triphosphate
    • 783306-37-6
    • Resveratrol phosphate sodium salt
    • UNII-0XZ2NMC29U
    • 0XZ2NMC29U
    • 1,3-Benzenediol, 5-((1E)-2-(4-(phosphonooxy)phenyl)ethenyl)-, 1,3-bis(dihydrogen phosphate), sodium salt (1:3)
    • 1,3-Benzenediol, 5-((1E)-2-(4-(phosphonooxy)phenyl)ethenyl)-, bis(dihydrogen phosphate), trisodium salt
    • DTXSID10229003
    • RefChem:192176
    • DTXCID90151494
    • TRISODIUM RESVERATROL TRIPHOSPHATE [INCI]
    • trisodium;[4-[(E)-2-[3,5-bis[[hydroxy(oxido)phosphoryl]oxy]phenyl]ethenyl]phenyl] hydrogen phosphate
    • Q27231234
    • Trisodium 5-[(E)-2-{4-[(hydroxyphosphinato)oxy]phenyl}ethen-1-yl]-1,3-phenylene bis[hydrogen (phosphate)]
    • 783306-37-6

  • Applications

    Trisodium resveratrol triphosphate, CAS 783306-37-6, is a polyphosphate derivative of resveratrol. In practice, it is viewed as a useful intermediate for the synthesis of resveratrol-based materials and functional derivatives. It may be used as an antioxidant and stabilizer additive in cosmetic and personal care formulations, improving solubility and compatibility with aqueous components. It may also act as a functional additive or crosslinking component in polymer and coating formulations due to its phosphate groups. Additionally, it can serve as a research reagent in pharmaceutical/biochemical development for phosphorylated resveratrol derivatives. Finally, as a phosphate-containing derivative, it may be evaluated as a synthesis intermediary or a solubility-enhancing additive for resveratrol in certain formulation systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.67
    methanol 55.23
    isopropanol 10.11
    water 4.92
    ethyl acetate 10.81
    n-propanol 14.71
    acetone 52.36
    n-butanol 7.88
    acetonitrile 13.82
    DMF 296.71
    toluene 1.66
    isobutanol 4.94
    1,4-dioxane 18.45
    methyl acetate 14.8
    THF 66.83
    2-butanone 23.31
    n-pentanol 3.71
    sec-butanol 7.04
    n-hexane 0.11
    ethylene glycol 47.59
    NMP 180.69
    cyclohexane 0.22
    DMSO 376.54
    n-butyl acetate 7.3
    n-octanol 2.4
    chloroform 1.42
    n-propyl acetate 7.42
    acetic acid 30.43
    dichloromethane 2.71
    cyclohexanone 14.54
    propylene glycol 49.7
    isopropyl acetate 6.83
    DMAc 167.3
    2-ethoxyethanol 60.35
    isopentanol 3.93
    n-heptane 0.3
    ethyl formate 15.2
    1,2-dichloroethane 3.62
    n-hexanol 3.09
    2-methoxyethanol 179.59
    isobutyl acetate 1.76
    tetrachloromethane 0.22
    n-pentyl acetate 5.26
    transcutol 65.62
    n-heptanol 3.14
    ethylbenzene 0.49
    MIBK 6.57
    2-propoxyethanol 68.12
    tert-butanol 8.35
    MTBE 2.88
    2-butoxyethanol 26.61
    propionic acid 16.7
    o-xylene 1.07
    formic acid 75.78
    diethyl ether 7.18
    m-xylene 0.97
    p-xylene 0.55
    chlorobenzene 0.86
    dimethyl carbonate 31.05
    n-octane 0.13
    formamide 155.05
    cyclopentanone 54.81
    2-pentanone 17.11
    anisole 3.77
    cyclopentyl methyl ether 9.8
    gamma-butyrolactone 78.91
    1-methoxy-2-propanol 113.3
    pyridine 14.05
    3-pentanone 12.05
    furfural 61.71
    n-dodecane 0.12
    diethylene glycol 91.55
    diisopropyl ether 1.02
    tert-amyl alcohol 5.51
    acetylacetone 31.78
    n-hexadecane 0.14
    acetophenone 5.72
    methyl propionate 23.83
    isopentyl acetate 3.55
    trichloroethylene 4.42
    n-nonanol 2.57
    cyclohexanol 3.2
    benzyl alcohol 4.75
    2-ethylhexanol 1.48
    isooctanol 1.67
    dipropyl ether 6.63
    1,2-dichlorobenzene 0.8
    ethyl lactate 15.56
    propylene carbonate 19.29
    n-methylformamide 130.49
    2-pentanol 4.05
    n-pentane 0.23
    1-propoxy-2-propanol 41.62
    1-methoxy-2-propyl acetate 20.4
    2-(2-methoxypropoxy) propanol 23.01
    mesitylene 0.55
    ε-caprolactone 13.28
    p-cymene 0.61
    epichlorohydrin 37.39
    1,1,1-trichloroethane 0.81
    2-aminoethanol 49.32
    morpholine-4-carbaldehyde 117.91
    sulfolane 143.79
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 11.91
    n-hexyl acetate 4.92
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 35.58
    sec-butyl acetate 2.72
    tert-butyl acetate 6.66
    decalin 0.05
    glycerin 125.99
    diglyme 54.92
    acrylic acid 22.73
    isopropyl myristate 2.4
    n-butyric acid 13.54
    acetyl acetate 6.43
    di(2-ethylhexyl) phthalate 3.16
    ethyl propionate 8.31
    nitromethane 95.15
    1,2-diethoxyethane 10.76
    benzonitrile 3.23
    trioctyl phosphate 2.86
    1-bromopropane 1.33
    gamma-valerolactone 99.88
    n-decanol 2.07
    triethyl phosphate 3.53
    4-methyl-2-pentanol 1.55
    propionitrile 8.96
    vinylene carbonate 15.65
    1,1,2-trichlorotrifluoroethane 40.28
    DMS 9.22
    cumene 0.29
    2-octanol 1.77
    2-hexanone 6.17
    octyl acetate 3.58
    limonene 0.79
    1,2-dimethoxyethane 58.93
    ethyl orthosilicate 2.94
    tributyl phosphate 3.17
    diacetone alcohol 24.1
    N,N-dimethylaniline 2.88
    acrylonitrile 18.6
    aniline 5.15
    1,3-propanediol 40.37
    bromobenzene 0.58
    dibromomethane 1.37
    1,1,2,2-tetrachloroethane 4.15
    2-methyl-cyclohexyl acetate 3.27
    tetrabutyl urea 7.91
    diisobutyl methanol 1.19
    2-phenylethanol 4.64
    styrene 0.66
    dioctyl adipate 4.4
    dimethyl sulfate 56.5
    ethyl butyrate 6.96
    methyl lactate 57.42
    butyl lactate 12.11
    diethyl carbonate 4.36
    propanediol butyl ether 23.86
    triethyl orthoformate 6.01
    p-tert-butyltoluene 0.61
    methyl 4-tert-butylbenzoate 10.1
    morpholine 30.52
    tert-butylamine 2.38
    n-dodecanol 1.55
    dimethoxymethane 137.74
    ethylene carbonate 10.87
    cyrene 29.12
    2-ethoxyethyl acetate 12.94
    2-ethylhexyl acetate 2.4
    1,2,4-trichlorobenzene 1.15
    4-methylpyridine 7.71
    dibutyl ether 2.65
    2,6-dimethyl-4-heptanol 1.19
    DEF 28.3
    dimethyl isosorbide 48.32
    tetrachloroethylene 2.46
    eugenol 15.27
    triacetin 11.08
    span 80 14.12
    1,4-butanediol 13.4
    1,1-dichloroethane 1.48
    2-methyl-1-pentanol 1.6
    methyl formate 91.18
    2-methyl-1-butanol 3.82
    n-decane 0.19
    butyronitrile 5.36
    3,7-dimethyl-1-octanol 1.52
    1-chlorooctane 0.64
    1-chlorotetradecane 0.34
    n-nonane 0.17
    undecane 0.15
    tert-butylcyclohexane 0.04
    cyclooctane 0.11
    cyclopentanol 9.63
    tetrahydropyran 7.16
    tert-amyl methyl ether 3.3
    2,5,8-trioxanonane 44.58
    1-hexene 0.45
    2-isopropoxyethanol 20.21
    2,2,2-trifluoroethanol 18.53
    methyl butyrate 10.15

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
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