Levistilide A

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  • Identifiers

    CAS number
    89708-23-6

    Molecular formula
    C24H28O4

    SMILES
    CCC/C=C\1/C2=C(C3C(CC2)C4CCC3\5C(=C4)C(=O)O/C5=C\CCC)C(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Herbal 61.03%
    Green 48.18%
    Spicy 48.18%
    Celery 39.56%
    Lactonic 31.64%
    Woody 30.61%
    Jasmin 29.25%
    Mint 27.47%
    Coconut 26.16%
    Fruity 21.23%

     

    Flavor
    Bitter 58.6%
    Herbal 34.92%
    Lovage 21.97%
    Celery 21.76%
    Cedarleaf 19.94%
    Basil 18.85%
    Outdoor 18.84%
    Parsley 18.01%
    Leaves 17.95%
    Ripe apricot 17.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    4.99 (weak acid)

    Molecular weight
    380.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    642°C

    Melting point expt.

    • 112 - 113 °C

    Flash point

    • 209.17 ˚C est.

  • Synonyms

    • 89708-23-6
    • (6Z,16Z)-6,16-Di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione
    • (1Z,5S,5aS,8Z,10bS,10cS)-1,8-dibutylidene-5,5a,6,7,8,10b-hexahydro-1H-5,10c-ethanonaphtho(1,2-c:7,8-c')difuran-3,10-dione
    • MFCD22125005
    • EBC-615378
    • 6,16-dibutylidene-5,15-dioxapentacyclo[9.5.2.0^{1,13}.0^{2,10}.0^{3,7}]octadeca-3(7),12-diene-4,14-dione
    • 89708-23-6

  • Applications

    Levistilide A (CAS 89708-23-6) is a natural product that is evaluated for applications in fragrance and cosmetics, typically functioning as an odorant or fragrance ingredient in perfumery and personal care products; it may also be used as a fragrance additive in household products such as cleaners and air fresheners; in the chemical industry it is often regarded as an intermediate for the synthesis of related derivatives; in addition, it is studied as a feedstock or starting material for organic synthesis and materials development, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.5
    methanol 5.67
    isopropanol 8.86
    water 0.01
    ethyl acetate 54.92
    n-propanol 13.27
    acetone 37.75
    n-butanol 22.74
    acetonitrile 11.85
    DMF 62.06
    toluene 84.94
    isobutanol 14.46
    1,4-dioxane 55.52
    methyl acetate 37.73
    THF 95.43
    2-butanone 66.18
    n-pentanol 15.64
    sec-butanol 13.24
    n-hexane 1.39
    ethylene glycol 1.57
    NMP 166.24
    cyclohexane 5.18
    DMSO 25.08
    n-butyl acetate 45.96
    n-octanol 8.17
    chloroform 146.44
    n-propyl acetate 36.29
    acetic acid 21.09
    dichloromethane 125.4
    cyclohexanone 174.47
    propylene glycol 3.09
    isopropyl acetate 50.54
    DMAc 121.21
    2-ethoxyethanol 25.42
    isopentanol 28.71
    n-heptane 0.96
    ethyl formate 23.69
    1,2-dichloroethane 89.1
    n-hexanol 20.7
    2-methoxyethanol 34.68
    isobutyl acetate 32.25
    tetrachloromethane 16.95
    n-pentyl acetate 45.2
    transcutol 62.16
    n-heptanol 12.98
    ethylbenzene 28.65
    MIBK 54.34
    2-propoxyethanol 51.89
    tert-butanol 11.28
    MTBE 17.18
    2-butoxyethanol 36.26
    propionic acid 21.6
    o-xylene 44.78
    formic acid 6.36
    diethyl ether 23.35
    m-xylene 49.26
    p-xylene 36.01
    chlorobenzene 93.29
    dimethyl carbonate 32.27
    n-octane 0.61
    formamide 10.1
    cyclopentanone 146.33
    2-pentanone 73.21
    anisole 38.72
    cyclopentyl methyl ether 59.81
    gamma-butyrolactone 121.6
    1-methoxy-2-propanol 37.52
    pyridine 120.03
    3-pentanone 66.01
    furfural 113.13
    n-dodecane 0.77
    diethylene glycol 26.34
    diisopropyl ether 11.03
    tert-amyl alcohol 14.07
    acetylacetone 76.61
    n-hexadecane 0.98
    acetophenone 62.77
    methyl propionate 55.3
    isopentyl acetate 55.13
    trichloroethylene 207.63
    n-nonanol 10.76
    cyclohexanol 41.21
    benzyl alcohol 45.52
    2-ethylhexanol 18.33
    isooctanol 13.12
    dipropyl ether 12.6
    1,2-dichlorobenzene 84.61
    ethyl lactate 24.34
    propylene carbonate 76.92
    n-methylformamide 21.54
    2-pentanol 18.37
    n-pentane 1.77
    1-propoxy-2-propanol 33.46
    1-methoxy-2-propyl acetate 65.11
    2-(2-methoxypropoxy) propanol 41.28
    mesitylene 26.55
    ε-caprolactone 132.13
    p-cymene 17.05
    epichlorohydrin 136.55
    1,1,1-trichloroethane 71.23
    2-aminoethanol 4.66
    morpholine-4-carbaldehyde 128.8
    sulfolane 122.47
    2,2,4-trimethylpentane 2.0
    2-methyltetrahydrofuran 68.38
    n-hexyl acetate 48.25
    isooctane 1.39
    2-(2-butoxyethoxy)ethanol 44.03
    sec-butyl acetate 37.75
    tert-butyl acetate 48.05
    decalin 3.97
    glycerin 8.98
    diglyme 73.79
    acrylic acid 23.27
    isopropyl myristate 21.66
    n-butyric acid 55.57
    acetyl acetate 46.07
    di(2-ethylhexyl) phthalate 33.44
    ethyl propionate 40.51
    nitromethane 37.32
    1,2-diethoxyethane 31.12
    benzonitrile 60.35
    trioctyl phosphate 20.19
    1-bromopropane 44.59
    gamma-valerolactone 198.65
    n-decanol 8.01
    triethyl phosphate 28.18
    4-methyl-2-pentanol 17.56
    propionitrile 23.82
    vinylene carbonate 83.69
    1,1,2-trichlorotrifluoroethane 86.37
    DMS 53.98
    cumene 18.79
    2-octanol 9.4
    2-hexanone 44.18
    octyl acetate 26.83
    limonene 19.94
    1,2-dimethoxyethane 43.16
    ethyl orthosilicate 26.46
    tributyl phosphate 24.83
    diacetone alcohol 51.95
    N,N-dimethylaniline 28.38
    acrylonitrile 33.67
    aniline 68.71
    1,3-propanediol 15.96
    bromobenzene 105.72
    dibromomethane 81.04
    1,1,2,2-tetrachloroethane 135.51
    2-methyl-cyclohexyl acetate 45.98
    tetrabutyl urea 35.97
    diisobutyl methanol 12.11
    2-phenylethanol 50.88
    styrene 33.52
    dioctyl adipate 33.31
    dimethyl sulfate 46.44
    ethyl butyrate 34.1
    methyl lactate 32.8
    butyl lactate 34.54
    diethyl carbonate 26.91
    propanediol butyl ether 20.26
    triethyl orthoformate 30.11
    p-tert-butyltoluene 14.86
    methyl 4-tert-butylbenzoate 53.9
    morpholine 66.74
    tert-butylamine 6.8
    n-dodecanol 6.23
    dimethoxymethane 46.52
    ethylene carbonate 65.93
    cyrene 59.59
    2-ethoxyethyl acetate 61.98
    2-ethylhexyl acetate 48.36
    1,2,4-trichlorobenzene 111.36
    4-methylpyridine 138.98
    dibutyl ether 11.88
    2,6-dimethyl-4-heptanol 12.11
    DEF 86.34
    dimethyl isosorbide 77.16
    tetrachloroethylene 87.85
    eugenol 52.11
    triacetin 49.4
    span 80 33.51
    1,4-butanediol 6.26
    1,1-dichloroethane 65.36
    2-methyl-1-pentanol 24.24
    methyl formate 16.53
    2-methyl-1-butanol 26.15
    n-decane 1.08
    butyronitrile 29.19
    3,7-dimethyl-1-octanol 13.92
    1-chlorooctane 6.79
    1-chlorotetradecane 4.06
    n-nonane 0.74
    undecane 0.89
    tert-butylcyclohexane 2.54
    cyclooctane 1.96
    cyclopentanol 28.74
    tetrahydropyran 62.59
    tert-amyl methyl ether 21.73
    2,5,8-trioxanonane 56.14
    1-hexene 8.15
    2-isopropoxyethanol 24.91
    2,2,2-trifluoroethanol 12.48
    methyl butyrate 47.58

    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