Mansonone A

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  • Identifiers

    CAS number
    7715-94-8

    Molecular formula
    C15H20O2

    SMILES
    CC1CCC(C2=C1C(=O)C(=O)C(=C2)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 56.76%
    Mint 47.93%
    Spicy 45.72%
    Herbal 40.85%
    Sweet 39.67%
    Camphoreous 33.17%
    Tobacco 32.23%
    Phenolic 31.78%
    Caramellic 30.04%
    Dry 29.0%

     

    Flavor
    Bitter 39.81%
    Minty 30.57%
    Herbal 30.34%
    Basil 22.2%
    Lovage 22.01%
    Spice 21.88%
    Celery 21.04%
    Leaves 21.01%
    Outdoor 20.36%
    Spicy 20.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.76 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 137.33 ˚C est.

  • Synonyms

    • Mansonone A
    • 7715-94-8
    • 3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione
    • RefChem:155706
    • 1,2-Naphthalenedione, 5,6,7,8-tetrahydro-3,8-dimethyl-5-(1-methylethyl)-
    • NSC 113135
    • CHEMBL449890
    • SCHEMBL30655980
    • DTXSID10998409
    • NSC113135
    • NSC-113135
    • 3,8-Dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,2-dione
    • 7715-94-8

  • Applications

    Mansonone A is a natural naphthoquinone that can be isolated from plant sources containing mansonones. In practical terms, it is studied primarily as a synthetic intermediate and building block for organic synthesis, and it has been evaluated for bioactivity, including antimicrobial and antifungal effects, with potential antioxidant properties. Reported potential applications include serving as a reference standard for complex synthetic transformations, guiding the development of derivatives for pharmaceutical research, and acting as a pigment/dye precursor for coatings and inks. The naphthoquinone core may also be explored in agricultural contexts as a biological agent or lead for crop-protection programs, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.8
    methanol 34.27
    isopropanol 56.07
    water 0.06
    ethyl acetate 87.86
    n-propanol 64.63
    acetone 129.87
    n-butanol 67.68
    acetonitrile 65.17
    DMF 247.63
    toluene 252.66
    isobutanol 57.5
    1,4-dioxane 224.63
    methyl acetate 118.85
    THF 315.55
    2-butanone 183.77
    n-pentanol 55.08
    sec-butanol 62.34
    n-hexane 5.67
    ethylene glycol 8.0
    NMP 358.22
    cyclohexane 20.72
    DMSO 85.43
    n-butyl acetate 109.24
    n-octanol 38.54
    chloroform 514.93
    n-propyl acetate 74.33
    acetic acid 48.45
    dichloromethane 491.5
    cyclohexanone 356.88
    propylene glycol 14.76
    isopropyl acetate 64.34
    DMAc 198.44
    2-ethoxyethanol 54.92
    isopentanol 65.57
    n-heptane 4.9
    ethyl formate 74.74
    1,2-dichloroethane 281.14
    n-hexanol 77.91
    2-methoxyethanol 79.7
    isobutyl acetate 59.03
    tetrachloromethane 69.26
    n-pentyl acetate 92.03
    transcutol 135.06
    n-heptanol 47.21
    ethylbenzene 94.82
    MIBK 77.11
    2-propoxyethanol 105.35
    tert-butanol 59.25
    MTBE 60.96
    2-butoxyethanol 69.92
    propionic acid 61.69
    o-xylene 133.22
    formic acid 11.24
    diethyl ether 65.22
    m-xylene 146.13
    p-xylene 121.24
    chlorobenzene 254.26
    dimethyl carbonate 47.28
    n-octane 3.64
    formamide 27.19
    cyclopentanone 356.9
    2-pentanone 123.13
    anisole 119.41
    cyclopentyl methyl ether 132.97
    gamma-butyrolactone 300.35
    1-methoxy-2-propanol 74.33
    pyridine 406.84
    3-pentanone 103.29
    furfural 300.73
    n-dodecane 3.43
    diethylene glycol 61.03
    diisopropyl ether 24.12
    tert-amyl alcohol 59.11
    acetylacetone 124.57
    n-hexadecane 4.27
    acetophenone 139.4
    methyl propionate 86.75
    isopentyl acetate 107.71
    trichloroethylene 667.63
    n-nonanol 37.16
    cyclohexanol 110.72
    benzyl alcohol 126.36
    2-ethylhexanol 53.66
    isooctanol 40.79
    dipropyl ether 35.58
    1,2-dichlorobenzene 206.98
    ethyl lactate 38.57
    propylene carbonate 160.35
    n-methylformamide 82.61
    2-pentanol 45.34
    n-pentane 6.85
    1-propoxy-2-propanol 79.74
    1-methoxy-2-propyl acetate 100.24
    2-(2-methoxypropoxy) propanol 67.43
    mesitylene 73.47
    ε-caprolactone 252.03
    p-cymene 57.3
    epichlorohydrin 360.41
    1,1,1-trichloroethane 245.09
    2-aminoethanol 21.6
    morpholine-4-carbaldehyde 257.0
    sulfolane 283.42
    2,2,4-trimethylpentane 6.37
    2-methyltetrahydrofuran 229.66
    n-hexyl acetate 107.36
    isooctane 5.06
    2-(2-butoxyethoxy)ethanol 84.1
    sec-butyl acetate 55.55
    tert-butyl acetate 68.23
    decalin 14.37
    glycerin 20.77
    diglyme 149.11
    acrylic acid 60.45
    isopropyl myristate 38.33
    n-butyric acid 87.74
    acetyl acetate 61.67
    di(2-ethylhexyl) phthalate 53.47
    ethyl propionate 61.21
    nitromethane 114.27
    1,2-diethoxyethane 72.73
    benzonitrile 185.66
    trioctyl phosphate 35.39
    1-bromopropane 132.77
    gamma-valerolactone 382.13
    n-decanol 26.96
    triethyl phosphate 41.3
    4-methyl-2-pentanol 32.47
    propionitrile 78.53
    vinylene carbonate 158.42
    1,1,2-trichlorotrifluoroethane 164.41
    DMS 95.1
    cumene 56.66
    2-octanol 36.72
    2-hexanone 94.67
    octyl acetate 52.71
    limonene 68.56
    1,2-dimethoxyethane 107.48
    ethyl orthosilicate 40.03
    tributyl phosphate 37.21
    diacetone alcohol 82.91
    N,N-dimethylaniline 80.69
    acrylonitrile 111.66
    aniline 180.16
    1,3-propanediol 41.64
    bromobenzene 277.39
    dibromomethane 310.59
    1,1,2,2-tetrachloroethane 432.86
    2-methyl-cyclohexyl acetate 86.55
    tetrabutyl urea 54.39
    diisobutyl methanol 30.31
    2-phenylethanol 134.28
    styrene 107.4
    dioctyl adipate 57.4
    dimethyl sulfate 76.66
    ethyl butyrate 66.64
    methyl lactate 41.71
    butyl lactate 65.23
    diethyl carbonate 45.59
    propanediol butyl ether 60.64
    triethyl orthoformate 48.66
    p-tert-butyltoluene 51.35
    methyl 4-tert-butylbenzoate 104.56
    morpholine 247.3
    tert-butylamine 38.13
    n-dodecanol 20.32
    dimethoxymethane 108.26
    ethylene carbonate 117.85
    cyrene 108.53
    2-ethoxyethyl acetate 110.17
    2-ethylhexyl acetate 91.26
    1,2,4-trichlorobenzene 263.02
    4-methylpyridine 373.38
    dibutyl ether 35.54
    2,6-dimethyl-4-heptanol 30.31
    DEF 132.2
    dimethyl isosorbide 156.8
    tetrachloroethylene 254.31
    eugenol 98.43
    triacetin 91.9
    span 80 68.07
    1,4-butanediol 21.5
    1,1-dichloroethane 242.11
    2-methyl-1-pentanol 63.01
    methyl formate 75.2
    2-methyl-1-butanol 66.85
    n-decane 5.57
    butyronitrile 90.54
    3,7-dimethyl-1-octanol 39.63
    1-chlorooctane 33.22
    1-chlorotetradecane 13.51
    n-nonane 4.72
    undecane 4.27
    tert-butylcyclohexane 11.52
    cyclooctane 7.02
    cyclopentanol 111.85
    tetrahydropyran 232.17
    tert-amyl methyl ether 52.81
    2,5,8-trioxanonane 101.57
    1-hexene 28.58
    2-isopropoxyethanol 51.37
    2,2,2-trifluoroethanol 25.77
    methyl butyrate 88.17

    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