Schisandrin C

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  • Identifiers

    CAS number
    61301-33-5

    Molecular formula
    C22H24O6

    SMILES
    C[C@@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C[C@@H]1C)OCO5)OC)OC)OCO3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Spicy 58.04%
    Phenolic 40.1%
    Woody 39.34%
    Balsamic 28.98%
    Musk 27.74%
    Powdery 27.44%
    Dry 26.26%
    Smoky 26.13%
    Amber 25.26%
    Animal 24.82%

     

    Flavor
    Bitter 80.38%
    Parsley 21.54%
    Bland 20.94%
    Cedarleaf 20.52%
    Eugenol 20.25%
    Ripe apricot 19.03%
    Red fruit 18.8%
    Sweet-like 18.73%
    Carrot 18.72%
    Lovage 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.3 (neutral)

    Molecular weight
    384.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 203.38 ˚C est.

  • Synonyms

    • schisandrin C
    • Schizandrin C
    • 61301-33-5
    • C8754W6B3G
    • Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxole 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, (6R,7S,13aS)-
    • DTXSID101317497
    • (12S,13R)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo(13.7.0.02,10.04,8.017,21)docosa-1(22),2,4(8),9,15,17(21)-hexaene
    • (12S,13R)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene
    • RefChem:47482
    • DTXCID901747307
    • 3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo(13.7.0.02,10.04,8.017,21)docosa-1(22),2,4(8),9,15,17(21)-hexaene
    • Wuweizisu C
    • Schisandrin-C
    • (-)-WUWEIZISU C
    • CHEMBL437412
    • (6R,7S,13aS)-5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxole
    • AC1L9DW8
    • UNII-C8754W6B3G
    • Schisandrin C (Standard)
    • SureCN2406629
    • SCHEMBL2406629
    • SCHEMBL29351675
    • SCHEMBL29554365
    • CHEBI:10044
    • HY-N0690R
    • (S)-(-)-SCHISANDRIN C
    • HY-N0690
    • AKOS015897177
    • CS-3664
    • EBC-521367
    • FW65207
    • Q27108563
    • (12R,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0^{2,10}.0^{4,8}.0^{17,21}]docosa-1(22),2,4(8),9,15,17(21)-hexaene
    • (6R,7S,13aS)-5,6,7,8-Tetrahydro-13,14-dimethoxy-6,7-dimethylcycloocta[1,2-f:3,4-f inverted exclamation marka]bis[1,3]benzodioxole
    • CYCLOOCTA(1,2-F:3,4-F')BIS(1,3)BENZODIOXOLE, 5,6,7,8-TETRAHYDRO-13,14-DIMETHOXY-6,7-DIMETHYL-, (6R,7S,13AS)-
    • 61301-33-5

  • Applications

    Schisandrin C, CAS 61301-33-5, is a natural dibenzocyclooctadiene lignan. In industrial contexts, its applications include: serving as an analytical reference standard for quantifying lignans in Schisandra-containing plant materials; used as a cosmetic/personal care ingredient investigated as a natural antioxidant and stabilizer in skincare formulations; employed in pharmaceutical research as a lead compound and tool for structure-activity studies of dibenzocyclooctadiene lignans; a component of Schisandra-derived extracts used in dietary supplement formulations; evaluated as a natural antioxidant additive for polymers and coatings to improve oxidative stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.75
    methanol 7.45
    isopropanol 9.2
    water 0.22
    ethyl acetate 79.9
    n-propanol 12.11
    acetone 65.72
    n-butanol 14.04
    acetonitrile 36.86
    DMF 89.38
    toluene 30.1
    isobutanol 12.32
    1,4-dioxane 64.74
    methyl acetate 71.56
    THF 113.45
    2-butanone 62.08
    n-pentanol 13.04
    sec-butanol 10.97
    n-hexane 2.21
    ethylene glycol 7.04
    NMP 171.2
    cyclohexane 6.0
    DMSO 78.48
    n-butyl acetate 61.73
    n-octanol 11.85
    chloroform 294.76
    n-propyl acetate 52.74
    acetic acid 85.96
    dichloromethane 270.47
    cyclohexanone 117.1
    propylene glycol 5.22
    isopropyl acetate 62.05
    DMAc 136.87
    2-ethoxyethanol 34.08
    isopentanol 19.29
    n-heptane 2.45
    ethyl formate 54.67
    1,2-dichloroethane 150.49
    n-hexanol 19.81
    2-methoxyethanol 43.48
    isobutyl acetate 43.65
    tetrachloromethane 58.07
    n-pentyl acetate 53.28
    transcutol 74.54
    n-heptanol 16.07
    ethylbenzene 16.96
    MIBK 46.17
    2-propoxyethanol 58.09
    tert-butanol 15.91
    MTBE 23.54
    2-butoxyethanol 45.03
    propionic acid 46.96
    o-xylene 24.26
    formic acid 30.04
    diethyl ether 28.79
    m-xylene 23.67
    p-xylene 24.66
    chlorobenzene 73.69
    dimethyl carbonate 83.3
    n-octane 1.61
    formamide 46.93
    cyclopentanone 147.86
    2-pentanone 58.39
    anisole 33.16
    cyclopentyl methyl ether 56.11
    gamma-butyrolactone 190.27
    1-methoxy-2-propanol 36.28
    pyridine 89.26
    3-pentanone 59.48
    furfural 177.6
    n-dodecane 1.51
    diethylene glycol 45.77
    diisopropyl ether 14.52
    tert-amyl alcohol 16.93
    acetylacetone 107.4
    n-hexadecane 1.84
    acetophenone 57.12
    methyl propionate 76.74
    isopentyl acetate 63.99
    trichloroethylene 379.77
    n-nonanol 13.54
    cyclohexanol 28.86
    benzyl alcohol 35.13
    2-ethylhexanol 19.98
    isooctanol 16.12
    dipropyl ether 19.89
    1,2-dichlorobenzene 91.24
    ethyl lactate 39.31
    propylene carbonate 135.78
    n-methylformamide 46.97
    2-pentanol 12.64
    n-pentane 2.56
    1-propoxy-2-propanol 41.08
    1-methoxy-2-propyl acetate 83.64
    2-(2-methoxypropoxy) propanol 48.41
    mesitylene 16.57
    ε-caprolactone 125.56
    p-cymene 19.76
    epichlorohydrin 201.39
    1,1,1-trichloroethane 170.09
    2-aminoethanol 9.23
    morpholine-4-carbaldehyde 141.27
    sulfolane 218.19
    2,2,4-trimethylpentane 2.78
    2-methyltetrahydrofuran 71.55
    n-hexyl acetate 49.02
    isooctane 1.97
    2-(2-butoxyethoxy)ethanol 47.65
    sec-butyl acetate 42.87
    tert-butyl acetate 61.4
    decalin 4.54
    glycerin 18.9
    diglyme 96.1
    acrylic acid 65.32
    isopropyl myristate 22.76
    n-butyric acid 67.04
    acetyl acetate 105.44
    di(2-ethylhexyl) phthalate 33.36
    ethyl propionate 54.3
    nitromethane 166.4
    1,2-diethoxyethane 38.24
    benzonitrile 56.53
    trioctyl phosphate 24.2
    1-bromopropane 54.65
    gamma-valerolactone 182.53
    n-decanol 10.27
    triethyl phosphate 43.17
    4-methyl-2-pentanol 13.51
    propionitrile 33.54
    vinylene carbonate 155.56
    1,1,2-trichlorotrifluoroethane 202.85
    DMS 80.29
    cumene 14.57
    2-octanol 11.27
    2-hexanone 42.0
    octyl acetate 30.12
    limonene 23.59
    1,2-dimethoxyethane 60.45
    ethyl orthosilicate 38.32
    tributyl phosphate 30.5
    diacetone alcohol 56.53
    N,N-dimethylaniline 27.81
    acrylonitrile 55.9
    aniline 41.28
    1,3-propanediol 18.54
    bromobenzene 80.22
    dibromomethane 151.81
    1,1,2,2-tetrachloroethane 245.37
    2-methyl-cyclohexyl acetate 54.96
    tetrabutyl urea 35.87
    diisobutyl methanol 13.77
    2-phenylethanol 44.56
    styrene 20.35
    dioctyl adipate 39.63
    dimethyl sulfate 149.77
    ethyl butyrate 50.74
    methyl lactate 53.43
    butyl lactate 43.69
    diethyl carbonate 47.5
    propanediol butyl ether 26.5
    triethyl orthoformate 43.46
    p-tert-butyltoluene 18.02
    methyl 4-tert-butylbenzoate 65.3
    morpholine 67.38
    tert-butylamine 9.91
    n-dodecanol 8.01
    dimethoxymethane 70.8
    ethylene carbonate 120.04
    cyrene 74.38
    2-ethoxyethyl acetate 79.11
    2-ethylhexyl acetate 56.79
    1,2,4-trichlorobenzene 109.81
    4-methylpyridine 79.11
    dibutyl ether 15.56
    2,6-dimethyl-4-heptanol 13.77
    DEF 82.69
    dimethyl isosorbide 95.34
    tetrachloroethylene 176.32
    eugenol 57.45
    triacetin 72.93
    span 80 35.56
    1,4-butanediol 9.77
    1,1-dichloroethane 111.21
    2-methyl-1-pentanol 19.17
    methyl formate 58.19
    2-methyl-1-butanol 17.49
    n-decane 2.29
    butyronitrile 30.46
    3,7-dimethyl-1-octanol 15.87
    1-chlorooctane 11.71
    1-chlorotetradecane 6.01
    n-nonane 1.8
    undecane 1.78
    tert-butylcyclohexane 3.33
    cyclooctane 2.69
    cyclopentanol 30.26
    tetrahydropyran 51.8
    tert-amyl methyl ether 24.87
    2,5,8-trioxanonane 70.27
    1-hexene 7.77
    2-isopropoxyethanol 32.87
    2,2,2-trifluoroethanol 85.19
    methyl butyrate 62.13

    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