Usnic acid sodium salt

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  • Identifiers

    CAS number
    39012-86-7

    Molecular formula
    C18H15NaO7

    SMILES
    CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)[O-])O2)C)C(=O)C)O.[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.94%
    Odorless 40.46%
    Caramellic 31.56%
    Burnt 30.66%
    Dry 27.37%
    Phenolic 26.15%
    Fruity 25.52%
    Spicy 25.08%
    Woody 24.24%
    Powdery 23.13%

     

    Flavor
    Bitter 69.48%
    Odorless 30.11%
    Bland 21.17%
    Cedarleaf 20.45%
    Sweet-like 20.3%
    Seedy 20.16%
    Bread crust 20.15%
    Taco 20.14%
    Parsley 20.12%
    Lovage 19.94%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.93 (weak acid)

    Molecular weight
    366.3 g/mol

    Flash point

    • 238.41 ˚C est.

  • Synonyms

    • 39012-86-7
    • RefChem:1100858
    • 254-248-1
    • Usnic acid sodium salt
    • 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, sodium salt
    • Sodium usniate
    • sodium;2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-1-oxodibenzofuran-3-olate
    • EINECS 254-248-1
    • Usninsaeure natriumsalz
    • Usninsaeure natriumsalz [German]
    • 1,3(2H,9bH)-dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, sodium salt
    • 2,6-Diacetyl-8,9b-dimethyl-3,7,9-trihydroxy-1(9bh)-dibenzofuranone sodium salt
    • SCHEMBL29616506
    • DTXSID00913560
    • RIDMFEXHWJXRLI-UHFFFAOYSA-M
    • 1(9bH)-dibenzofuranone, 2,6-diacetyl-8,9b-dimethyl-3,7,9-trihydroxy-, sodium salt
    • Sodium 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-1-oxo-1,9b-dihydrodibenzo[b,d]furan-3-olate
    • 39012-86-7

  • Applications

    Usnic acid sodium salt (CAS 39012-86-7) is the more water-soluble salt form of a natural lichen metabolite and is commonly evaluated as a bioactive auxiliary in formulations and as an intermediate in synthesis. Potential applications include antimicrobial/antifungal additives in cosmetics and personal care; pharmaceutical synthesis as an intermediate for bioactive compounds; functional additives in coatings and inks to provide antimicrobial effects; antimicrobial components in cleaning and household products; agricultural formulations as a biocidal or fungicidal candidate; and as an intermediate or stabilizing component in various industrial manufacturing processes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.68
    methanol 1.64
    isopropanol 0.93
    water 0.01
    ethyl acetate 9.53
    n-propanol 1.08
    acetone 9.29
    n-butanol 1.39
    acetonitrile 5.51
    DMF 39.23
    toluene 2.14
    isobutanol 1.17
    1,4-dioxane 19.51
    methyl acetate 11.46
    THF 48.8
    2-butanone 11.56
    n-pentanol 1.73
    sec-butanol 1.31
    n-hexane 0.23
    ethylene glycol 0.95
    NMP 78.94
    cyclohexane 0.25
    DMSO 71.35
    n-butyl acetate 11.68
    n-octanol 2.4
    chloroform 13.29
    n-propyl acetate 11.11
    acetic acid 4.1
    dichloromethane 12.94
    cyclohexanone 29.76
    propylene glycol 0.88
    isopropyl acetate 8.28
    DMAc 62.21
    2-ethoxyethanol 7.64
    isopentanol 2.11
    n-heptane 0.17
    ethyl formate 7.45
    1,2-dichloroethane 10.97
    n-hexanol 2.59
    2-methoxyethanol 11.23
    isobutyl acetate 8.17
    tetrachloromethane 1.52
    n-pentyl acetate 8.01
    transcutol 9.21
    n-heptanol 2.45
    ethylbenzene 2.3
    MIBK 8.48
    2-propoxyethanol 16.99
    tert-butanol 2.71
    MTBE 2.44
    2-butoxyethanol 8.5
    propionic acid 3.89
    o-xylene 2.19
    formic acid 2.86
    diethyl ether 2.66
    m-xylene 2.11
    p-xylene 3.9
    chlorobenzene 4.85
    dimethyl carbonate 15.92
    n-octane 0.14
    formamide 6.21
    cyclopentanone 46.04
    2-pentanone 9.09
    anisole 7.29
    cyclopentyl methyl ether 9.83
    gamma-butyrolactone 58.46
    1-methoxy-2-propanol 9.35
    pyridine 13.29
    3-pentanone 9.35
    furfural 36.51
    n-dodecane 0.18
    diethylene glycol 15.02
    diisopropyl ether 1.23
    tert-amyl alcohol 2.79
    acetylacetone 23.17
    n-hexadecane 0.23
    acetophenone 13.57
    methyl propionate 12.45
    isopentyl acetate 11.4
    trichloroethylene 24.22
    n-nonanol 2.78
    cyclohexanol 3.56
    benzyl alcohol 5.75
    2-ethylhexanol 2.93
    isooctanol 2.5
    dipropyl ether 3.54
    1,2-dichlorobenzene 6.63
    ethyl lactate 10.11
    propylene carbonate 24.74
    n-methylformamide 11.76
    2-pentanol 1.19
    n-pentane 0.1
    1-propoxy-2-propanol 10.64
    1-methoxy-2-propyl acetate 18.34
    2-(2-methoxypropoxy) propanol 12.73
    mesitylene 1.58
    ε-caprolactone 25.0
    p-cymene 2.23
    epichlorohydrin 43.56
    1,1,1-trichloroethane 8.3
    2-aminoethanol 1.2
    morpholine-4-carbaldehyde 53.2
    sulfolane 103.5
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 14.85
    n-hexyl acetate 9.1
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 9.82
    sec-butyl acetate 7.62
    tert-butyl acetate 10.42
    decalin 0.39
    glycerin 4.24
    diglyme 20.47
    acrylic acid 5.38
    isopropyl myristate 5.13
    n-butyric acid 5.61
    acetyl acetate 9.62
    di(2-ethylhexyl) phthalate 7.67
    ethyl propionate 12.71
    nitromethane 27.07
    1,2-diethoxyethane 6.11
    benzonitrile 9.42
    trioctyl phosphate 6.08
    1-bromopropane 3.28
    gamma-valerolactone 60.65
    n-decanol 2.25
    triethyl phosphate 10.71
    4-methyl-2-pentanol 1.49
    propionitrile 5.98
    vinylene carbonate 21.6
    1,1,2-trichlorotrifluoroethane 29.03
    DMS 16.27
    cumene 1.9
    2-octanol 1.99
    2-hexanone 12.48
    octyl acetate 6.46
    limonene 2.63
    1,2-dimethoxyethane 26.75
    ethyl orthosilicate 8.05
    tributyl phosphate 7.22
    diacetone alcohol 15.17
    N,N-dimethylaniline 5.92
    acrylonitrile 10.79
    aniline 3.71
    1,3-propanediol 2.75
    bromobenzene 4.8
    dibromomethane 7.02
    1,1,2,2-tetrachloroethane 19.87
    2-methyl-cyclohexyl acetate 12.36
    tetrabutyl urea 12.01
    diisobutyl methanol 2.5
    2-phenylethanol 8.84
    styrene 2.28
    dioctyl adipate 8.68
    dimethyl sulfate 43.72
    ethyl butyrate 10.28
    methyl lactate 12.4
    butyl lactate 7.74
    diethyl carbonate 9.5
    propanediol butyl ether 5.82
    triethyl orthoformate 8.94
    p-tert-butyltoluene 2.03
    methyl 4-tert-butylbenzoate 13.58
    morpholine 17.78
    tert-butylamine 1.01
    n-dodecanol 1.8
    dimethoxymethane 22.88
    ethylene carbonate 19.71
    cyrene 26.63
    2-ethoxyethyl acetate 11.09
    2-ethylhexyl acetate 9.9
    1,2,4-trichlorobenzene 9.59
    4-methylpyridine 12.94
    dibutyl ether 3.03
    2,6-dimethyl-4-heptanol 2.5
    DEF 18.15
    dimethyl isosorbide 33.34
    tetrachloroethylene 11.82
    eugenol 13.25
    triacetin 12.62
    span 80 9.58
    1,4-butanediol 1.62
    1,1-dichloroethane 5.75
    2-methyl-1-pentanol 2.47
    methyl formate 13.53
    2-methyl-1-butanol 1.79
    n-decane 0.28
    butyronitrile 4.69
    3,7-dimethyl-1-octanol 2.62
    1-chlorooctane 1.63
    1-chlorotetradecane 0.85
    n-nonane 0.22
    undecane 0.22
    tert-butylcyclohexane 0.31
    cyclooctane 0.14
    cyclopentanol 4.8
    tetrahydropyran 9.32
    tert-amyl methyl ether 3.32
    2,5,8-trioxanonane 18.98
    1-hexene 0.95
    2-isopropoxyethanol 6.4
    2,2,2-trifluoroethanol 5.28
    methyl butyrate 16.09

    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