Solavetivone

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  • Identifiers

    CAS number
    54878-25-0

    Molecular formula
    C15H22O

    SMILES
    C[C@@H]1CC(=O)C=C([C@]12CC[C@H](C2)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.93%
    Sweet 55.24%
    Citrus 49.22%
    Fruity 48.84%
    Fresh 45.33%
    Spicy 44.14%
    Herbal 42.58%
    Mint 42.42%
    Tobacco 41.0%
    Dry 37.07%

     

    Flavor
    Minty 51.22%
    Herbal 46.42%
    Fresh 39.78%
    Woody 37.69%
    Spice 35.1%
    Mint 34.53%
    Spicy 28.21%
    Camphor 26.48%
    Peppermint 26.26%
    Herb 25.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.55 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 112.59 ˚C est.

  • Synonyms

    • Solavetivone
    • Katahdinone
    • 54878-25-0
    • HS8O8A7REZ
    • (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one
    • CHEBI:9192
    • (3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
    • Spiro(4.5)dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethenyl)-, (2R,5S,10R)-
    • (3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro(4.5)dec-9-en-8-one
    • (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro(4.5)dec-6-en-8-one
    • RefChem:931954
    • Spiro(4.5)dec-6-en-8-one,6,10-dimethyl-2-(1-methylethenyl)-,(2R,5S,10R)-
    • (-)-Solavetivone
    • (2R,5S,10R)-2-isopropenyl-6,10-dimethylspiro(4,5)-dec-6-en-8-one
    • (-)-(2R,5S,10R)-2-isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one
    • UNII-HS8O8A7REZ
    • ()-solavetivone
    • SCHEMBL707134
    • CHEMBL465907
    • DTXSID00970214
    • C09737
    • Q27108304
    • 6,10-Dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one
    • ()-(2R,5S,10R)-2-isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one
    • (2R,5S,10R)-6,10-DIMETHYL-2-(1-METHYLETHENYL)SPIRO(4.5)DEC-6-EN-8-ONE
    • 54878-25-0

  • Applications

    Solavetivone, CAS 54878-25-0, is a natural sesquiterpene primarily studied as a bioactive metabolite with antifungal properties produced by Solanum species; in practice it is explored as a lead compound for agricultural fungicides and plant-protection products and is often evaluated as a scaffold for medicinal chemistry and drug discovery research; because of its terpenoid fragrance characteristics it may be used as an odorant or fragrance ingredient in perfumery and cosmetics; it can also serve as a chemical intermediate or building block in organic synthesis for making bioactive molecules; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 997.95
    methanol 976.42
    isopropanol 1098.68
    water 0.72
    ethyl acetate 847.18
    n-propanol 913.08
    acetone 871.29
    n-butanol 892.77
    acetonitrile 763.6
    DMF 896.67
    toluene 1108.39
    isobutanol 628.43
    1,4-dioxane 2302.28
    methyl acetate 637.88
    THF 2821.47
    2-butanone 683.46
    n-pentanol 321.22
    sec-butanol 494.69
    n-hexane 21.58
    ethylene glycol 56.76
    NMP 401.01
    cyclohexane 108.87
    DMSO 304.94
    n-butyl acetate 610.03
    n-octanol 138.85
    chloroform 1992.32
    n-propyl acetate 322.08
    acetic acid 296.86
    dichloromethane 1468.14
    cyclohexanone 937.55
    propylene glycol 134.11
    isopropyl acetate 618.44
    DMAc 473.87
    2-ethoxyethanol 351.04
    isopentanol 661.09
    n-heptane 28.28
    ethyl formate 462.3
    1,2-dichloroethane 719.6
    n-hexanol 581.54
    2-methoxyethanol 963.68
    isobutyl acetate 250.88
    tetrachloromethane 227.42
    n-pentyl acetate 269.13
    transcutol 1675.86
    n-heptanol 168.19
    ethylbenzene 253.75
    MIBK 467.14
    2-propoxyethanol 884.76
    tert-butanol 998.32
    MTBE 785.0
    2-butoxyethanol 331.57
    propionic acid 262.75
    o-xylene 360.06
    formic acid 96.12
    diethyl ether 888.38
    m-xylene 588.24
    p-xylene 313.91
    chlorobenzene 706.36
    dimethyl carbonate 223.47
    n-octane 10.09
    formamide 207.63
    cyclopentanone 984.95
    2-pentanone 702.76
    anisole 513.0
    cyclopentyl methyl ether 811.04
    gamma-butyrolactone 873.92
    1-methoxy-2-propanol 881.01
    pyridine 1297.83
    3-pentanone 380.61
    furfural 728.74
    n-dodecane 9.75
    diethylene glycol 423.19
    diisopropyl ether 235.1
    tert-amyl alcohol 390.73
    acetylacetone 642.95
    n-hexadecane 11.73
    acetophenone 348.05
    methyl propionate 480.12
    isopentyl acetate 568.45
    trichloroethylene 1347.49
    n-nonanol 129.73
    cyclohexanol 566.15
    benzyl alcohol 371.92
    2-ethylhexanol 250.7
    isooctanol 132.1
    dipropyl ether 335.95
    1,2-dichlorobenzene 454.38
    ethyl lactate 133.86
    propylene carbonate 515.03
    n-methylformamide 449.08
    2-pentanol 448.6
    n-pentane 44.29
    1-propoxy-2-propanol 623.17
    1-methoxy-2-propyl acetate 727.15
    2-(2-methoxypropoxy) propanol 334.41
    mesitylene 286.13
    ε-caprolactone 717.25
    p-cymene 159.46
    epichlorohydrin 1267.52
    1,1,1-trichloroethane 774.24
    2-aminoethanol 227.75
    morpholine-4-carbaldehyde 815.31
    sulfolane 447.09
    2,2,4-trimethylpentane 22.87
    2-methyltetrahydrofuran 1346.91
    n-hexyl acetate 348.05
    isooctane 31.77
    2-(2-butoxyethoxy)ethanol 493.92
    sec-butyl acetate 270.36
    tert-butyl acetate 577.01
    decalin 37.05
    glycerin 153.43
    diglyme 899.27
    acrylic acid 171.25
    isopropyl myristate 138.68
    n-butyric acid 659.34
    acetyl acetate 439.68
    di(2-ethylhexyl) phthalate 139.99
    ethyl propionate 282.85
    nitromethane 535.99
    1,2-diethoxyethane 694.49
    benzonitrile 608.18
    trioctyl phosphate 92.05
    1-bromopropane 541.15
    gamma-valerolactone 1293.4
    n-decanol 97.61
    triethyl phosphate 126.7
    4-methyl-2-pentanol 283.53
    propionitrile 781.35
    vinylene carbonate 518.11
    1,1,2-trichlorotrifluoroethane 410.58
    DMS 298.35
    cumene 150.77
    2-octanol 105.47
    2-hexanone 300.98
    octyl acetate 168.46
    limonene 197.27
    1,2-dimethoxyethane 820.19
    ethyl orthosilicate 134.23
    tributyl phosphate 118.77
    diacetone alcohol 486.88
    N,N-dimethylaniline 276.41
    acrylonitrile 712.84
    aniline 851.22
    1,3-propanediol 506.38
    bromobenzene 762.02
    dibromomethane 940.56
    1,1,2,2-tetrachloroethane 925.58
    2-methyl-cyclohexyl acetate 252.53
    tetrabutyl urea 142.1
    diisobutyl methanol 160.18
    2-phenylethanol 501.79
    styrene 328.74
    dioctyl adipate 181.68
    dimethyl sulfate 171.5
    ethyl butyrate 343.58
    methyl lactate 191.72
    butyl lactate 202.46
    diethyl carbonate 225.13
    propanediol butyl ether 281.25
    triethyl orthoformate 235.7
    p-tert-butyltoluene 170.33
    methyl 4-tert-butylbenzoate 278.01
    morpholine 2394.56
    tert-butylamine 611.36
    n-dodecanol 73.79
    dimethoxymethane 1014.29
    ethylene carbonate 478.34
    cyrene 232.92
    2-ethoxyethyl acetate 443.74
    2-ethylhexyl acetate 397.06
    1,2,4-trichlorobenzene 480.12
    4-methylpyridine 1395.76
    dibutyl ether 208.76
    2,6-dimethyl-4-heptanol 160.18
    DEF 504.1
    dimethyl isosorbide 582.15
    tetrachloroethylene 529.65
    eugenol 264.04
    triacetin 286.25
    span 80 282.26
    1,4-butanediol 107.54
    1,1-dichloroethane 934.95
    2-methyl-1-pentanol 265.85
    methyl formate 331.75
    2-methyl-1-butanol 477.27
    n-decane 16.66
    butyronitrile 927.4
    3,7-dimethyl-1-octanol 185.56
    1-chlorooctane 92.64
    1-chlorotetradecane 37.96
    n-nonane 14.21
    undecane 12.41
    tert-butylcyclohexane 36.73
    cyclooctane 28.6
    cyclopentanol 517.89
    tetrahydropyran 2022.8
    tert-amyl methyl ether 334.47
    2,5,8-trioxanonane 536.38
    1-hexene 126.89
    2-isopropoxyethanol 261.71
    2,2,2-trifluoroethanol 101.42
    methyl butyrate 353.78

    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