Gomisin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58546-54-6

    Molecular formula
    C23H28O7

    SMILES
    C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@]1(C)O)OC)OC)OC)OC)OCO3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 50.87%
    Phenolic 44.06%
    Woody 39.84%
    Vanilla 37.34%
    Balsamic 35.1%
    Powdery 35.02%
    Sweet 33.73%
    Floral 31.15%
    Smoky 30.26%
    Musk 28.73%

     

    Flavor
    Bitter 75.37%
    Bland 23.91%
    Parsley 23.49%
    Eugenol 21.97%
    Cedarleaf 21.7%
    Sweet-like 20.91%
    Ripe apricot 20.51%
    Carrot 20.43%
    Red fruit 20.22%
    Green pepper 19.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.69 (neutral)

    Molecular weight
    416.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    871°C

    Flash point

    • 210.1 ˚C est.

  • Synonyms

    • Gomisin A
    • 58546-54-6
    • (9R,10S)-3,4,5,19-Tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
    • DTXCID0028876
    • (9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo(10.7.0.02,7.014,18)nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
    • RefChem:1086159
    • (9R,10R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo(10.7.0.02,7.014,18)nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
    • 878-647-0
    • DTXSID7048950
    • SchisandrinB
    • CHEMBL1159658
    • SCHEMBL30174528
    • BDBM50485612
    • AKOS032948318
    • 58546-54-6

  • Applications

    Gomisin A (CAS 58546-54-6) is a natural lignan isolated from Schisandra chinensis and is primarily used in research contexts. It is often evaluated as an intermediate in the synthesis of lignan derivatives for pharmaceutical chemistry. In cosmetic science, Gomisin A has been studied for potential antioxidant activity and may be considered for inclusion in topical formulations in a research or experimental setting. In analytical chemistry and quality control, Gomisin A serves as a reference standard for the characterization and quantification of Schisandra lignans in botanical extracts. These applications are typically exploratory and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.52
    methanol 17.13
    isopropanol 18.28
    water 0.28
    ethyl acetate 88.06
    n-propanol 22.34
    acetone 82.54
    n-butanol 22.35
    acetonitrile 49.05
    DMF 118.73
    toluene 15.58
    isobutanol 19.26
    1,4-dioxane 65.09
    methyl acetate 80.35
    THF 98.04
    2-butanone 66.15
    n-pentanol 20.75
    sec-butanol 20.15
    n-hexane 1.78
    ethylene glycol 13.62
    NMP 171.16
    cyclohexane 3.55
    DMSO 131.02
    n-butyl acetate 59.64
    n-octanol 16.03
    chloroform 224.79
    n-propyl acetate 57.82
    acetic acid 152.74
    dichloromethane 185.02
    cyclohexanone 100.52
    propylene glycol 12.59
    isopropyl acetate 62.85
    DMAc 170.44
    2-ethoxyethanol 57.25
    isopentanol 25.03
    n-heptane 2.17
    ethyl formate 65.21
    1,2-dichloroethane 117.91
    n-hexanol 26.12
    2-methoxyethanol 70.04
    isobutyl acetate 43.17
    tetrachloromethane 43.99
    n-pentyl acetate 53.72
    transcutol 93.47
    n-heptanol 20.84
    ethylbenzene 11.61
    MIBK 44.4
    2-propoxyethanol 75.59
    tert-butanol 25.55
    MTBE 27.27
    2-butoxyethanol 56.51
    propionic acid 66.59
    o-xylene 15.8
    formic acid 56.32
    diethyl ether 33.35
    m-xylene 13.38
    p-xylene 16.67
    chlorobenzene 47.21
    dimethyl carbonate 84.51
    n-octane 1.39
    formamide 75.11
    cyclopentanone 119.79
    2-pentanone 61.1
    anisole 30.02
    cyclopentyl methyl ether 43.91
    gamma-butyrolactone 164.31
    1-methoxy-2-propanol 59.76
    pyridine 64.83
    3-pentanone 56.84
    furfural 147.09
    n-dodecane 1.39
    diethylene glycol 67.48
    diisopropyl ether 13.15
    tert-amyl alcohol 27.87
    acetylacetone 105.98
    n-hexadecane 1.62
    acetophenone 51.95
    methyl propionate 81.23
    isopentyl acetate 56.22
    trichloroethylene 248.31
    n-nonanol 17.85
    cyclohexanol 31.66
    benzyl alcohol 35.83
    2-ethylhexanol 22.85
    isooctanol 19.9
    dipropyl ether 21.53
    1,2-dichlorobenzene 60.7
    ethyl lactate 49.45
    propylene carbonate 121.9
    n-methylformamide 67.82
    2-pentanol 19.04
    n-pentane 2.2
    1-propoxy-2-propanol 51.42
    1-methoxy-2-propyl acetate 82.98
    2-(2-methoxypropoxy) propanol 58.31
    mesitylene 9.2
    ε-caprolactone 114.31
    p-cymene 15.43
    epichlorohydrin 164.36
    1,1,1-trichloroethane 123.01
    2-aminoethanol 17.98
    morpholine-4-carbaldehyde 159.1
    sulfolane 210.23
    2,2,4-trimethylpentane 2.43
    2-methyltetrahydrofuran 61.38
    n-hexyl acetate 51.49
    isooctane 1.42
    2-(2-butoxyethoxy)ethanol 58.9
    sec-butyl acetate 43.6
    tert-butyl acetate 59.48
    decalin 3.22
    glycerin 36.36
    diglyme 108.25
    acrylic acid 86.25
    isopropyl myristate 22.43
    n-butyric acid 84.86
    acetyl acetate 110.19
    di(2-ethylhexyl) phthalate 34.0
    ethyl propionate 56.89
    nitromethane 235.3
    1,2-diethoxyethane 39.16
    benzonitrile 48.8
    trioctyl phosphate 26.32
    1-bromopropane 46.41
    gamma-valerolactone 168.89
    n-decanol 13.11
    triethyl phosphate 43.62
    4-methyl-2-pentanol 16.55
    propionitrile 40.48
    vinylene carbonate 136.95
    1,1,2-trichlorotrifluoroethane 204.33
    DMS 76.47
    cumene 10.47
    2-octanol 14.01
    2-hexanone 45.93
    octyl acetate 31.36
    limonene 20.23
    1,2-dimethoxyethane 75.65
    ethyl orthosilicate 37.07
    tributyl phosphate 30.78
    diacetone alcohol 65.4
    N,N-dimethylaniline 25.81
    acrylonitrile 60.69
    aniline 32.94
    1,3-propanediol 31.11
    bromobenzene 46.89
    dibromomethane 111.97
    1,1,2,2-tetrachloroethane 187.71
    2-methyl-cyclohexyl acetate 51.45
    tetrabutyl urea 38.39
    diisobutyl methanol 14.27
    2-phenylethanol 43.22
    styrene 13.8
    dioctyl adipate 40.64
    dimethyl sulfate 148.85
    ethyl butyrate 50.36
    methyl lactate 70.63
    butyl lactate 48.31
    diethyl carbonate 47.96
    propanediol butyl ether 38.23
    triethyl orthoformate 43.15
    p-tert-butyltoluene 13.4
    methyl 4-tert-butylbenzoate 63.7
    morpholine 74.87
    tert-butylamine 13.59
    n-dodecanol 9.91
    dimethoxymethane 79.4
    ethylene carbonate 111.7
    cyrene 82.65
    2-ethoxyethyl acetate 82.16
    2-ethylhexyl acetate 49.56
    1,2,4-trichlorobenzene 73.64
    4-methylpyridine 59.02
    dibutyl ether 15.83
    2,6-dimethyl-4-heptanol 14.27
    DEF 88.83
    dimethyl isosorbide 95.53
    tetrachloroethylene 134.98
    eugenol 55.93
    triacetin 79.58
    span 80 43.98
    1,4-butanediol 17.47
    1,1-dichloroethane 92.0
    2-methyl-1-pentanol 24.78
    methyl formate 71.3
    2-methyl-1-butanol 24.53
    n-decane 2.28
    butyronitrile 37.42
    3,7-dimethyl-1-octanol 17.86
    1-chlorooctane 10.99
    1-chlorotetradecane 5.45
    n-nonane 1.81
    undecane 1.71
    tert-butylcyclohexane 2.43
    cyclooctane 1.55
    cyclopentanol 34.29
    tetrahydropyran 47.76
    tert-amyl methyl ether 29.22
    2,5,8-trioxanonane 79.57
    1-hexene 7.3
    2-isopropoxyethanol 47.57
    2,2,2-trifluoroethanol 119.35
    methyl butyrate 66.77

    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