Ginkgolide J

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  • Identifiers

    CAS number
    107438-79-9

    Molecular formula
    C20H24O10

    SMILES
    C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 63.79%
    Spicy 23.77%
    Sweet 22.74%
    Woody 22.26%
    Cooling 20.0%
    Mint 18.45%
    Milky 15.91%
    Dry 15.16%
    Lactonic 15.12%
    Burnt 15.08%

     

    Flavor
    Bitter 91.83%
    Bland 23.68%
    Sweet-like 22.3%
    Cedarleaf 22.04%
    Parsley 19.31%
    Ripe apricot 19.25%
    Red fruit 19.13%
    Lovage 18.92%
    Fenugreek 18.77%
    Naphthalic 18.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    4.63 (weak acid)

    Molecular weight
    424.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    2340°C

    Flash point

    • 213.31 ˚C est.

  • Synonyms

    • Ginkgolide J
    • 107438-79-9
    • BN-52024
    • M5297RI2UE
    • BN 52024
    • Ginkgolide A, 7-hydroxy-, (7beta)-
    • DTXSID80869475
    • RefChem:37877
    • DTXCID201021827
    • (1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo(8.7.2.0^(1,11).0^(3,7).0^(7,11).0^(13,17))nonadecane-5,15,18-trione
    • (1R,4aR,5R,7aS,9S,10R,11S)-11-tert-butyl-1,4b,10-trihydroxy-5-methyltetrahydro-4bH,9H-9,4a-(epoxymethano)cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-2,6,13(1H,5H)-trione
    • (1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo(8.7.2.01,11.03,7.07,11.013,17)nonadecane-5,15,18-trione
    • ginkgolide-J
    • 7-beta-Hydroxyginkgolide A
    • 7beta-Hydroxyginkgolide A
    • UNII-M5297RI2UE
    • (7?)-7-Hydroxyginkgolide A; [1S-(1?,2?,3?,3aR*,4?,6a?,7a?,7b?,8?,10a?,11aR*)]-3-(1,1-Dimethylethyl)hexahydro-2,4,7b-trihydroxy-8-methyl-9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione;
    • SCHEMBL30331226
    • GLXC-13661
    • AKOS040759073
    • DB06746
    • NS00070448
    • GINKGOLIDE A, 7-HYDROXY-, (7.BETA.)-
    • GINKGOLIDE J (CONSTITUENT OF GINKGO) [DSC]
    • Q27095721
    • 9H-1,7A-(EPOXYMETHANO)-1H,6AH-CYCLOPENTA(C)FURO(2,3-B)FURO(3',2':3,4)CYCLOPENTA(1,2-D)FURAN-5,9,12(4H)-TRIONE, 3-(1,1-DIMETHYLETHYL)HEXAHYDRO-2,4,7B-TRIHYDROXY-8-METHYL-, (1S,2R,3S,3AS,4R,6AR,7AR,7BR,8S,10AS,11AS)-
    • 107438-79-9

  • Applications

    Ginkgolide J (CAS 107438-79-9) is a natural diterpene trilactone from Ginkgo biloba and is primarily used in chemical research as a synthetic intermediate and analytical reference. Its real-world applications include serving as a building block for preparing ginkgolide derivatives in total synthesis studies; acting as a reference standard to develop and validate analytical methods (such as LC-MS and GC-MS) for quantifying ginkgolides in botanical extracts; being explored in structure-activity research and in medicinal chemistry contexts without implying health benefits; and supporting the generation of libraries of related compounds to probe structure-property relationships.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.46
    methanol 109.97
    isopropanol 28.29
    water 4.89
    ethyl acetate 53.9
    n-propanol 29.64
    acetone 122.59
    n-butanol 26.43
    acetonitrile 67.01
    DMF 299.96
    toluene 10.94
    isobutanol 16.22
    1,4-dioxane 92.91
    methyl acetate 65.14
    THF 200.6
    2-butanone 67.51
    n-pentanol 14.44
    sec-butanol 17.39
    n-hexane 0.5
    ethylene glycol 46.73
    NMP 322.72
    cyclohexane 1.25
    DMSO 424.2
    n-butyl acetate 32.59
    n-octanol 6.79
    chloroform 74.64
    n-propyl acetate 29.7
    acetic acid 261.52
    dichloromethane 72.77
    cyclohexanone 108.45
    propylene glycol 33.24
    isopropyl acetate 33.45
    DMAc 205.27
    2-ethoxyethanol 74.77
    isopentanol 17.02
    n-heptane 0.58
    ethyl formate 71.86
    1,2-dichloroethane 50.54
    n-hexanol 18.0
    2-methoxyethanol 207.4
    isobutyl acetate 14.75
    tetrachloromethane 11.95
    n-pentyl acetate 22.59
    transcutol 41.41
    n-heptanol 11.27
    ethylbenzene 4.62
    MIBK 27.13
    2-propoxyethanol 103.33
    tert-butanol 20.91
    MTBE 9.39
    2-butoxyethanol 47.7
    propionic acid 64.59
    o-xylene 6.6
    formic acid 283.74
    diethyl ether 19.43
    m-xylene 6.83
    p-xylene 5.48
    chlorobenzene 18.27
    dimethyl carbonate 80.99
    n-octane 0.32
    formamide 317.46
    cyclopentanone 194.22
    2-pentanone 56.52
    anisole 13.02
    cyclopentyl methyl ether 38.57
    gamma-butyrolactone 278.17
    1-methoxy-2-propanol 118.9
    pyridine 78.61
    3-pentanone 38.09
    furfural 223.07
    n-dodecane 0.27
    diethylene glycol 125.07
    diisopropyl ether 4.07
    tert-amyl alcohol 13.91
    acetylacetone 107.13
    n-hexadecane 0.32
    acetophenone 29.18
    methyl propionate 63.74
    isopentyl acetate 23.62
    trichloroethylene 116.1
    n-nonanol 7.15
    cyclohexanol 21.87
    benzyl alcohol 25.9
    2-ethylhexanol 8.3
    isooctanol 7.82
    dipropyl ether 9.31
    1,2-dichlorobenzene 18.83
    ethyl lactate 32.37
    propylene carbonate 122.33
    n-methylformamide 203.71
    2-pentanol 12.24
    n-pentane 0.71
    1-propoxy-2-propanol 46.46
    1-methoxy-2-propyl acetate 53.46
    2-(2-methoxypropoxy) propanol 27.33
    mesitylene 3.62
    ε-caprolactone 109.22
    p-cymene 4.43
    epichlorohydrin 206.61
    1,1,1-trichloroethane 32.04
    2-aminoethanol 51.52
    morpholine-4-carbaldehyde 278.38
    sulfolane 344.4
    2,2,4-trimethylpentane 0.32
    2-methyltetrahydrofuran 66.03
    n-hexyl acetate 21.95
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 33.49
    sec-butyl acetate 16.43
    tert-butyl acetate 25.61
    decalin 0.66
    glycerin 114.13
    diglyme 66.88
    acrylic acid 99.05
    isopropyl myristate 6.92
    n-butyric acid 83.78
    acetyl acetate 65.53
    di(2-ethylhexyl) phthalate 13.0
    ethyl propionate 27.33
    nitromethane 412.29
    1,2-diethoxyethane 15.73
    benzonitrile 32.65
    trioctyl phosphate 11.17
    1-bromopropane 15.3
    gamma-valerolactone 319.81
    n-decanol 4.7
    triethyl phosphate 15.31
    4-methyl-2-pentanol 7.23
    propionitrile 35.14
    vinylene carbonate 127.39
    1,1,2-trichlorotrifluoroethane 191.6
    DMS 38.08
    cumene 3.07
    2-octanol 5.55
    2-hexanone 27.97
    octyl acetate 11.71
    limonene 6.18
    1,2-dimethoxyethane 85.32
    ethyl orthosilicate 11.22
    tributyl phosphate 10.7
    diacetone alcohol 51.68
    N,N-dimethylaniline 10.01
    acrylonitrile 72.51
    aniline 24.46
    1,3-propanediol 82.25
    bromobenzene 15.27
    dibromomethane 37.94
    1,1,2,2-tetrachloroethane 74.43
    2-methyl-cyclohexyl acetate 20.21
    tetrabutyl urea 16.96
    diisobutyl methanol 4.22
    2-phenylethanol 31.28
    styrene 4.96
    dioctyl adipate 13.96
    dimethyl sulfate 163.51
    ethyl butyrate 22.15
    methyl lactate 90.54
    butyl lactate 24.24
    diethyl carbonate 18.03
    propanediol butyl ether 29.35
    triethyl orthoformate 15.32
    p-tert-butyltoluene 3.88
    methyl 4-tert-butylbenzoate 26.52
    morpholine 112.24
    tert-butylamine 6.1
    n-dodecanol 3.12
    dimethoxymethane 148.72
    ethylene carbonate 99.02
    cyrene 69.94
    2-ethoxyethyl acetate 38.46
    2-ethylhexyl acetate 18.34
    1,2,4-trichlorobenzene 26.4
    4-methylpyridine 57.1
    dibutyl ether 4.37
    2,6-dimethyl-4-heptanol 4.22
    DEF 76.31
    dimethyl isosorbide 60.12
    tetrachloroethylene 55.85
    eugenol 28.97
    triacetin 32.64
    span 80 26.43
    1,4-butanediol 28.6
    1,1-dichloroethane 33.8
    2-methyl-1-pentanol 11.38
    methyl formate 186.63
    2-methyl-1-butanol 15.79
    n-decane 0.48
    butyronitrile 33.67
    3,7-dimethyl-1-octanol 5.68
    1-chlorooctane 2.81
    1-chlorotetradecane 1.16
    n-nonane 0.39
    undecane 0.35
    tert-butylcyclohexane 0.43
    cyclooctane 0.5
    cyclopentanol 40.15
    tetrahydropyran 43.55
    tert-amyl methyl ether 9.53
    2,5,8-trioxanonane 40.94
    1-hexene 2.36
    2-isopropoxyethanol 37.24
    2,2,2-trifluoroethanol 153.93
    methyl butyrate 38.47

    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