Kappadione

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  • Identifiers

    CAS number
    131-13-5

    Molecular formula
    C11H8Na4O8P2

    SMILES
    CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.88%
    Balsamic 27.64%
    Sweet 21.49%
    Clean 20.8%
    Floral 20.41%
    Fatty 20.08%
    Powdery 19.69%
    Musk 19.64%
    Dry 17.84%
    Animal 16.07%

     

    Flavor
    Odorless 57.06%
    Mild 35.31%
    Bland 26.4%
    Very mild 23.64%
    Faint 22.17%
    Phenolic 22.11%
    Sour 21.48%
    Bitter 21.18%
    Urine 19.94%
    Sweet-like 19.74%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.04 (weak acid)

    Molecular weight
    422.08 g/mol

    Boiling point

    • 655.3

    Flash point

    • 264.85 ˚C est.

  • Synonyms

    • Kappadione
    • RefChem:1087973
    • 131-13-5
    • Menadiol Sodium Diphosphate Anhydrous
    • R2L46WE615
    • tetrasodium2-methyl-1,4-naphthylenebis(phosphate)
    • 1,4-Naphthalenediol, 2-methyl-, bis(dihydrogen phosphate), tetrasodium salt
    • Synkavit
    • Kipca water soluble
    • Menadione sodium phosphate
    • Sodium menadione diphosphate
    • Menadiol tetrasodium diphosphate
    • EINECS 205-012-1
    • Menadione diphosphate tetrasodium salt
    • 1:4-Naphthaquinol-bisdisodium phosphate
    • UNII-R2L46WE615
    • Menadiol sodium diphosphate anhydrous [USAN]
    • 2-Methyl-1,4-naphthaquinol bis(disodium phosphate)
    • Tetrasodium 2-methyl-1,4-naphthalenediol diphosphate
    • Tetrasodium 2-methyl-1,4-naphthohydroquinone diphosphate
    • 1,4-Naphthalenediol, 2-methyl-, diphosphate, tetrasodium salt
    • Tetrasodium 2-methyl-1,4-naphthahydroquinone diphosphoric acid ester
    • Tetrasodium 2-methyl-1,4-naphthalenediol bis(dihydrogen phosphate)
    • 2-Methyl-1,4-naphthohydroquinone diphosphoric acid ester tetrasodium salt
    • Phosphoric acid, diester with 2-methyl-1,4-naphthalenediol, tetrasodium salt
    • Tetrasodium 2-methyl-1,4-naphthylenebis(phosphate)
    • SCHEMBL1005168
    • DTXSID80156832
    • GZBACHSOZNEZOG-UHFFFAOYSA-J
    • EBC-27038
    • DB09332
    • 1,4-NAPHTHALENEDIOL, 2-METHYL-, 1,4-BIS(DIHYDROGEN PHOSPHATE), SODIUM SALT (1:4)
    • 1,4-NAPHTHALENEDIOL, 2-METHYL-, BIS(DIHYDROGEN PHOSPHATE), TETRASODIUM
    • MENADIOL SODIUM DIPHOSPHATE [MI]
    • MENADIOL SODIUM DIPHOSPHATE [WHO-DD]
    • Q6367106
    • Tetrasodium 2-methylnaphthalene-1,4-diyl bis(phosphate)
    • tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate
    • 2-METHYL-1,4-NAPHTHALENEDIOL BIS(DIHYDROGEN PHOSPHATE) TETRASODIUM SALT
    • 131-13-5

  • Applications

    Kappadione, CAS 131-13-5, is used as an intermediate in organic synthesis and may function as a solvent or processing aid in various industrial formulations. In the polymer and plastics sector, it can act as a stabilizer or processing additive. In coatings and inks, it may serve as a processing aid or stabilizer to improve formulation performance. In cleaning applications, it can appear as a specialty additive in cleaning products. Its exact use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.01
    methanol 8.37
    isopropanol 2.69
    water 0.25
    ethyl acetate 4.15
    n-propanol 3.16
    acetone 6.05
    n-butanol 2.42
    acetonitrile 3.06
    DMF 42.32
    toluene 0.91
    isobutanol 1.64
    1,4-dioxane 6.68
    methyl acetate 5.31
    THF 21.73
    2-butanone 7.12
    n-pentanol 1.24
    sec-butanol 2.72
    n-hexane 0.04
    ethylene glycol 5.24
    NMP 45.79
    cyclohexane 0.13
    DMSO 67.24
    n-butyl acetate 4.28
    n-octanol 1.52
    chloroform 1.99
    n-propyl acetate 1.99
    acetic acid 3.4
    dichloromethane 3.41
    cyclohexanone 7.48
    propylene glycol 3.31
    isopropyl acetate 2.7
    DMAc 39.36
    2-ethoxyethanol 8.34
    isopentanol 1.85
    n-heptane 0.14
    ethyl formate 3.74
    1,2-dichloroethane 3.94
    n-hexanol 2.35
    2-methoxyethanol 26.78
    isobutyl acetate 0.58
    tetrachloromethane 0.33
    n-pentyl acetate 3.5
    transcutol 10.68
    n-heptanol 2.18
    ethylbenzene 0.45
    MIBK 2.42
    2-propoxyethanol 14.11
    tert-butanol 3.19
    MTBE 1.81
    2-butoxyethanol 7.82
    propionic acid 3.57
    o-xylene 1.01
    formic acid 8.67
    diethyl ether 2.92
    m-xylene 0.57
    p-xylene 0.45
    chlorobenzene 0.91
    dimethyl carbonate 6.64
    n-octane 0.08
    formamide 20.35
    cyclopentanone 15.41
    2-pentanone 5.02
    anisole 2.12
    cyclopentyl methyl ether 4.68
    gamma-butyrolactone 16.0
    1-methoxy-2-propanol 15.9
    pyridine 7.52
    3-pentanone 4.35
    furfural 15.59
    n-dodecane 0.07
    diethylene glycol 16.42
    diisopropyl ether 0.58
    tert-amyl alcohol 3.42
    acetylacetone 7.45
    n-hexadecane 0.08
    acetophenone 3.62
    methyl propionate 6.92
    isopentyl acetate 3.11
    trichloroethylene 4.87
    n-nonanol 1.57
    cyclohexanol 2.03
    benzyl alcohol 2.54
    2-ethylhexanol 1.41
    isooctanol 1.4
    dipropyl ether 2.11
    1,2-dichlorobenzene 1.28
    ethyl lactate 3.21
    propylene carbonate 5.43
    n-methylformamide 16.4
    2-pentanol 1.57
    n-pentane 0.08
    1-propoxy-2-propanol 8.42
    1-methoxy-2-propyl acetate 7.51
    2-(2-methoxypropoxy) propanol 6.79
    mesitylene 0.39
    ε-caprolactone 7.11
    p-cymene 0.93
    epichlorohydrin 16.26
    1,1,1-trichloroethane 0.94
    2-aminoethanol 5.74
    morpholine-4-carbaldehyde 25.98
    sulfolane 33.52
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 7.39
    n-hexyl acetate 3.49
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.99
    sec-butyl acetate 1.2
    tert-butyl acetate 3.34
    decalin 0.06
    glycerin 10.17
    diglyme 14.26
    acrylic acid 4.42
    isopropyl myristate 1.4
    n-butyric acid 3.56
    acetyl acetate 2.51
    di(2-ethylhexyl) phthalate 2.17
    ethyl propionate 2.71
    nitromethane 10.59
    1,2-diethoxyethane 3.72
    benzonitrile 2.33
    trioctyl phosphate 1.8
    1-bromopropane 1.26
    gamma-valerolactone 19.09
    n-decanol 1.17
    triethyl phosphate 2.58
    4-methyl-2-pentanol 0.81
    propionitrile 2.95
    vinylene carbonate 4.58
    1,1,2-trichlorotrifluoroethane 14.11
    DMS 4.86
    cumene 0.31
    2-octanol 1.29
    2-hexanone 2.27
    octyl acetate 2.23
    limonene 1.19
    1,2-dimethoxyethane 12.81
    ethyl orthosilicate 2.16
    tributyl phosphate 1.67
    diacetone alcohol 7.94
    N,N-dimethylaniline 1.78
    acrylonitrile 5.39
    aniline 2.88
    1,3-propanediol 7.22
    bromobenzene 0.67
    dibromomethane 1.87
    1,1,2,2-tetrachloroethane 5.06
    2-methyl-cyclohexyl acetate 2.53
    tetrabutyl urea 3.69
    diisobutyl methanol 0.88
    2-phenylethanol 4.03
    styrene 0.5
    dioctyl adipate 2.29
    dimethyl sulfate 15.2
    ethyl butyrate 3.2
    methyl lactate 9.63
    butyl lactate 4.25
    diethyl carbonate 2.52
    propanediol butyl ether 5.19
    triethyl orthoformate 2.78
    p-tert-butyltoluene 0.86
    methyl 4-tert-butylbenzoate 6.39
    morpholine 10.95
    tert-butylamine 1.18
    n-dodecanol 0.83
    dimethoxymethane 21.14
    ethylene carbonate 3.41
    cyrene 8.26
    2-ethoxyethyl acetate 5.92
    2-ethylhexyl acetate 2.52
    1,2,4-trichlorobenzene 1.92
    4-methylpyridine 5.07
    dibutyl ether 1.16
    2,6-dimethyl-4-heptanol 0.88
    DEF 10.44
    dimethyl isosorbide 12.65
    tetrachloroethylene 3.45
    eugenol 6.4
    triacetin 3.89
    span 80 4.86
    1,4-butanediol 2.09
    1,1-dichloroethane 1.28
    2-methyl-1-pentanol 1.09
    methyl formate 10.74
    2-methyl-1-butanol 1.93
    n-decane 0.11
    butyronitrile 2.19
    3,7-dimethyl-1-octanol 1.16
    1-chlorooctane 0.58
    1-chlorotetradecane 0.27
    n-nonane 0.09
    undecane 0.09
    tert-butylcyclohexane 0.04
    cyclooctane 0.06
    cyclopentanol 3.56
    tetrahydropyran 3.53
    tert-amyl methyl ether 2.35
    2,5,8-trioxanonane 10.9
    1-hexene 0.22
    2-isopropoxyethanol 3.85
    2,2,2-trifluoroethanol 3.56
    methyl butyrate 3.22

    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