Sodium Demethylcantharidate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13114-29-9

    Molecular formula
    C8H8Na2O5

    SMILES
    C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 68.4%
    Sweet 31.06%
    Caramellic 18.7%
    Savory 18.56%
    Nutty 18.53%
    Burnt 16.37%
    Cooling 16.36%
    Bitter 16.31%
    Buttery 16.04%
    Milky 15.47%

     

    Flavor
    Bitter 60.6%
    Odorless 42.95%
    Very mild 24.92%
    Bland 22.96%
    Sweet-like 21.96%
    Nitrile 19.56%
    Yeast 19.37%
    Bread crust 19.21%
    Taco 19.2%
    Cedarleaf 19.12%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.8 (strong acid)

    Molecular weight
    230.13 g/mol

    Flash point

    • 156.9 ˚C est.

  • Synonyms

    • Endothal-disodium
    • 13114-29-9
    • Sodium Demethylcantharidate
    • 129-67-9
    • Sodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
    • disodium;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
    • 53608-75-6
    • endothall
    • Sodium norcantharidin
    • Disodium endothal
    • DEMETHYLCANTHARIDATE DISODIUM
    • ENDOTHALL-SODIUM
    • Sodium-Demethylcantharidate
    • SCHEMBL1006891
    • DTXSID1041899
    • CHEBI:81916
    • XRHVZWWRFMCBAZ-UHFFFAOYSA-L
    • AKOS030633011
    • NS00079305
    • C18724
    • Q27155657
    • Sodium3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carboxylate

  • Applications

    Sodium Demethylcantharidate is mainly used as an intermediate in the synthesis of cantharidin-related derivatives and analogous bioactive compounds, supporting pharmaceutical research and development; as a sodium salt it can serve as a building block for synthetic reactions and improve water solubility in laboratory processing; it is also used as a specialty building block for chemical and medicinal chemistry research in industrial and academic settings; in chemical manufacturing, it may serve as a reference material for process development and analytical method studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.89
    methanol 94.89
    isopropanol 30.33
    water 14.07
    ethyl acetate 28.86
    n-propanol 24.57
    acetone 90.85
    n-butanol 25.83
    acetonitrile 57.37
    DMF 287.35
    toluene 5.51
    isobutanol 16.58
    1,4-dioxane 75.27
    methyl acetate 50.29
    THF 119.67
    2-butanone 44.4
    n-pentanol 19.38
    sec-butanol 21.94
    n-hexane 0.64
    ethylene glycol 49.73
    NMP 154.19
    cyclohexane 0.85
    DMSO 406.96
    n-butyl acetate 19.01
    n-octanol 18.69
    chloroform 36.57
    n-propyl acetate 18.54
    acetic acid 33.16
    dichloromethane 48.19
    cyclohexanone 47.53
    propylene glycol 28.85
    isopropyl acetate 17.73
    DMAc 208.38
    2-ethoxyethanol 92.95
    isopentanol 25.03
    n-heptane 0.87
    ethyl formate 45.19
    1,2-dichloroethane 42.81
    n-hexanol 21.7
    2-methoxyethanol 177.59
    isobutyl acetate 9.33
    tetrachloromethane 5.6
    n-pentyl acetate 14.79
    transcutol 131.67
    n-heptanol 15.06
    ethylbenzene 5.37
    MIBK 21.8
    2-propoxyethanol 76.6
    tert-butanol 37.16
    MTBE 12.58
    2-butoxyethanol 44.99
    propionic acid 23.97
    o-xylene 7.27
    formic acid 82.91
    diethyl ether 17.46
    m-xylene 6.39
    p-xylene 7.15
    chlorobenzene 11.39
    dimethyl carbonate 34.16
    n-octane 0.77
    formamide 142.96
    cyclopentanone 71.55
    2-pentanone 33.38
    anisole 21.68
    cyclopentyl methyl ether 22.0
    gamma-butyrolactone 94.44
    1-methoxy-2-propanol 96.14
    pyridine 38.09
    3-pentanone 21.71
    furfural 106.23
    n-dodecane 1.16
    diethylene glycol 119.63
    diisopropyl ether 4.68
    tert-amyl alcohol 24.87
    acetylacetone 54.59
    n-hexadecane 1.29
    acetophenone 29.95
    methyl propionate 36.89
    isopentyl acetate 16.39
    trichloroethylene 52.24
    n-nonanol 17.19
    cyclohexanol 18.09
    benzyl alcohol 27.45
    2-ethylhexanol 11.25
    isooctanol 11.5
    dipropyl ether 9.93
    1,2-dichlorobenzene 15.88
    ethyl lactate 27.43
    propylene carbonate 40.15
    n-methylformamide 144.47
    2-pentanol 14.98
    n-pentane 0.63
    1-propoxy-2-propanol 42.04
    1-methoxy-2-propyl acetate 31.44
    2-(2-methoxypropoxy) propanol 49.72
    mesitylene 4.91
    ε-caprolactone 43.01
    p-cymene 5.81
    epichlorohydrin 108.3
    1,1,1-trichloroethane 16.5
    2-aminoethanol 44.83
    morpholine-4-carbaldehyde 156.02
    sulfolane 120.61
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 41.13
    n-hexyl acetate 22.6
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 63.26
    sec-butyl acetate 11.75
    tert-butyl acetate 19.29
    decalin 1.15
    glycerin 77.43
    diglyme 111.05
    acrylic acid 30.03
    isopropyl myristate 11.1
    n-butyric acid 28.27
    acetyl acetate 21.03
    di(2-ethylhexyl) phthalate 14.9
    ethyl propionate 20.18
    nitromethane 152.94
    1,2-diethoxyethane 27.47
    benzonitrile 28.72
    trioctyl phosphate 12.2
    1-bromopropane 12.64
    gamma-valerolactone 109.57
    n-decanol 13.21
    triethyl phosphate 15.04
    4-methyl-2-pentanol 11.98
    propionitrile 29.9
    vinylene carbonate 44.7
    1,1,2-trichlorotrifluoroethane 82.61
    DMS 26.65
    cumene 5.26
    2-octanol 10.57
    2-hexanone 21.43
    octyl acetate 15.79
    limonene 6.56
    1,2-dimethoxyethane 130.84
    ethyl orthosilicate 12.38
    tributyl phosphate 13.02
    diacetone alcohol 44.6
    N,N-dimethylaniline 18.41
    acrylonitrile 55.87
    aniline 14.81
    1,3-propanediol 64.77
    bromobenzene 9.47
    dibromomethane 25.99
    1,1,2,2-tetrachloroethane 44.38
    2-methyl-cyclohexyl acetate 15.69
    tetrabutyl urea 23.47
    diisobutyl methanol 8.42
    2-phenylethanol 27.8
    styrene 5.69
    dioctyl adipate 17.18
    dimethyl sulfate 66.97
    ethyl butyrate 16.93
    methyl lactate 47.99
    butyl lactate 20.38
    diethyl carbonate 14.44
    propanediol butyl ether 46.81
    triethyl orthoformate 13.48
    p-tert-butyltoluene 5.24
    methyl 4-tert-butylbenzoate 29.96
    morpholine 79.09
    tert-butylamine 13.58
    n-dodecanol 9.94
    dimethoxymethane 119.29
    ethylene carbonate 35.35
    cyrene 50.9
    2-ethoxyethyl acetate 23.75
    2-ethylhexyl acetate 12.32
    1,2,4-trichlorobenzene 19.04
    4-methylpyridine 36.59
    dibutyl ether 11.06
    2,6-dimethyl-4-heptanol 8.42
    DEF 59.17
    dimethyl isosorbide 63.31
    tetrachloroethylene 27.95
    eugenol 38.9
    triacetin 25.15
    span 80 29.0
    1,4-butanediol 35.82
    1,1-dichloroethane 21.17
    2-methyl-1-pentanol 18.28
    methyl formate 121.46
    2-methyl-1-butanol 19.4
    n-decane 1.59
    butyronitrile 28.36
    3,7-dimethyl-1-octanol 15.39
    1-chlorooctane 6.98
    1-chlorotetradecane 3.61
    n-nonane 1.32
    undecane 1.36
    tert-butylcyclohexane 0.94
    cyclooctane 0.48
    cyclopentanol 24.6
    tetrahydropyran 26.6
    tert-amyl methyl ether 12.68
    2,5,8-trioxanonane 84.73
    1-hexene 3.06
    2-isopropoxyethanol 47.25
    2,2,2-trifluoroethanol 43.47
    methyl butyrate 29.26

    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