Deoxyschizandrin

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  • Identifiers

    CAS number
    61281-38-7

    Molecular formula
    C24H32O6

    SMILES
    CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 62.33%
    Woody 53.18%
    Phenolic 49.14%
    Smoky 35.63%
    Balsamic 34.72%
    Leathery 30.28%
    Powdery 29.6%
    Dry 28.3%
    Floral 27.3%
    Burnt 26.86%

     

    Flavor
    Bitter 61.66%
    Spice 24.04%
    Parsley 23.99%
    Eugenol 22.79%
    Bland 21.87%
    Camphor 21.82%
    Earth 21.12%
    Cedarleaf 21.08%
    Carrot 20.87%
    Ripe apricot 20.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.0 (neutral)

    Molecular weight
    416.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    609°C

    Flash point

    • 191.81 ˚C est.

  • Synonyms

    • 61281-38-7
    • Deoxyschizandrin
    • 3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
    • 3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo(10.4.0.02,7)hexadeca-1(16),2,4,6,12,14-hexaene
    • RefChem:131998
    • Deoxyschisandrin
    • Dibenzo[a,c]cyclooctene,5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-,(6R,7S,12aR)-
    • Schizandrin-A
    • Dimethylgomisin J
    • hexamethoxy(dimethyl)[?]
    • Doxyschizandrin
    • Schizandrin-A;Wuweizisu-A;Deoxyschizandrin
    • CHEMBL479898
    • SCHEMBL2703836
    • SCHEMBL29402874
    • CHEBI:80818
    • DTXSID20976773
    • HMS3327E22
    • Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6R,7S,12aR)-
    • AKOS015897176
    • CCG-208606
    • NCGC00163662-01
    • C16951
    • Q27149861
    • 1,2,3,10,11,12-Hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene
    • 3,4,5,14,15,16-hexamethoxy-9,10-dimethyl-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
    • 61281-38-7

  • Applications

    Deoxyschizandrin, CAS 61281-38-7, is a dibenzocyclooctadiene lignan derived from Schisandra chinensis; in industrial and academic settings, it is commonly used as an intermediate in the synthesis of related lignans and as a reference standard for analytical workflows; in phytochemical and natural product analysis, it serves as calibration and quality-control material for isolation and quantification (HPLC, LC-MS) of Schisandra lignans in plant extracts; it may be evaluated in pharmacognosy and drug-discovery research contexts, but its use is generally limited to research and development rather than consumer products; overall, applications center on synthesis, analytical reference material, and research reagent roles within pharmaceutical, chemical, and natural products sectors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.53
    methanol 15.68
    isopropanol 21.48
    water 0.63
    ethyl acetate 179.54
    n-propanol 26.86
    acetone 136.64
    n-butanol 28.13
    acetonitrile 73.21
    DMF 146.72
    toluene 56.27
    isobutanol 25.09
    1,4-dioxane 128.11
    methyl acetate 135.78
    THF 191.52
    2-butanone 109.19
    n-pentanol 28.71
    sec-butanol 25.91
    n-hexane 11.94
    ethylene glycol 14.39
    NMP 297.69
    cyclohexane 26.09
    DMSO 136.72
    n-butyl acetate 115.68
    n-octanol 23.19
    chloroform 507.94
    n-propyl acetate 94.8
    acetic acid 153.09
    dichloromethane 510.7
    cyclohexanone 205.93
    propylene glycol 13.02
    isopropyl acetate 124.07
    DMAc 206.84
    2-ethoxyethanol 62.83
    isopentanol 33.55
    n-heptane 11.35
    ethyl formate 103.57
    1,2-dichloroethane 325.49
    n-hexanol 39.2
    2-methoxyethanol 69.24
    isobutyl acetate 68.34
    tetrachloromethane 156.9
    n-pentyl acetate 98.78
    transcutol 115.93
    n-heptanol 29.61
    ethylbenzene 39.61
    MIBK 82.0
    2-propoxyethanol 89.93
    tert-butanol 33.06
    MTBE 50.91
    2-butoxyethanol 68.73
    propionic acid 83.37
    o-xylene 53.38
    formic acid 46.45
    diethyl ether 75.02
    m-xylene 46.84
    p-xylene 54.78
    chlorobenzene 162.57
    dimethyl carbonate 157.53
    n-octane 6.76
    formamide 76.31
    cyclopentanone 249.83
    2-pentanone 112.88
    anisole 62.96
    cyclopentyl methyl ether 119.03
    gamma-butyrolactone 336.3
    1-methoxy-2-propanol 63.77
    pyridine 147.94
    3-pentanone 115.19
    furfural 293.94
    n-dodecane 4.79
    diethylene glycol 75.43
    diisopropyl ether 37.61
    tert-amyl alcohol 37.11
    acetylacetone 216.7
    n-hexadecane 5.63
    acetophenone 99.42
    methyl propionate 149.79
    isopentyl acetate 107.99
    trichloroethylene 698.07
    n-nonanol 24.97
    cyclohexanol 59.52
    benzyl alcohol 62.24
    2-ethylhexanol 40.83
    isooctanol 28.71
    dipropyl ether 48.5
    1,2-dichlorobenzene 206.49
    ethyl lactate 65.89
    propylene carbonate 253.77
    n-methylformamide 81.98
    2-pentanol 28.43
    n-pentane 11.38
    1-propoxy-2-propanol 64.55
    1-methoxy-2-propyl acetate 135.76
    2-(2-methoxypropoxy) propanol 65.46
    mesitylene 36.69
    ε-caprolactone 221.51
    p-cymene 41.31
    epichlorohydrin 364.86
    1,1,1-trichloroethane 387.93
    2-aminoethanol 18.8
    morpholine-4-carbaldehyde 228.49
    sulfolane 385.75
    2,2,4-trimethylpentane 11.57
    2-methyltetrahydrofuran 138.39
    n-hexyl acetate 87.63
    isooctane 7.07
    2-(2-butoxyethoxy)ethanol 69.1
    sec-butyl acetate 78.65
    tert-butyl acetate 122.93
    decalin 18.26
    glycerin 30.81
    diglyme 147.37
    acrylic acid 104.17
    isopropyl myristate 36.85
    n-butyric acid 120.1
    acetyl acetate 252.96
    di(2-ethylhexyl) phthalate 50.37
    ethyl propionate 106.6
    nitromethane 310.53
    1,2-diethoxyethane 73.92
    benzonitrile 93.1
    trioctyl phosphate 38.54
    1-bromopropane 115.97
    gamma-valerolactone 289.39
    n-decanol 18.86
    triethyl phosphate 82.52
    4-methyl-2-pentanol 25.43
    propionitrile 56.54
    vinylene carbonate 265.75
    1,1,2-trichlorotrifluoroethane 347.79
    DMS 153.71
    cumene 34.66
    2-octanol 22.66
    2-hexanone 74.41
    octyl acetate 49.1
    limonene 53.68
    1,2-dimethoxyethane 102.66
    ethyl orthosilicate 71.74
    tributyl phosphate 46.59
    diacetone alcohol 98.45
    N,N-dimethylaniline 54.79
    acrylonitrile 87.95
    aniline 71.18
    1,3-propanediol 32.73
    bromobenzene 189.43
    dibromomethane 305.88
    1,1,2,2-tetrachloroethane 492.78
    2-methyl-cyclohexyl acetate 97.61
    tetrabutyl urea 55.09
    diisobutyl methanol 26.82
    2-phenylethanol 75.76
    styrene 47.0
    dioctyl adipate 65.66
    dimethyl sulfate 279.74
    ethyl butyrate 96.27
    methyl lactate 92.96
    butyl lactate 68.46
    diethyl carbonate 87.14
    propanediol butyl ether 41.76
    triethyl orthoformate 78.08
    p-tert-butyltoluene 37.38
    methyl 4-tert-butylbenzoate 106.83
    morpholine 119.67
    tert-butylamine 23.55
    n-dodecanol 14.96
    dimethoxymethane 129.59
    ethylene carbonate 215.34
    cyrene 112.22
    2-ethoxyethyl acetate 143.59
    2-ethylhexyl acetate 100.35
    1,2,4-trichlorobenzene 230.6
    4-methylpyridine 128.11
    dibutyl ether 33.16
    2,6-dimethyl-4-heptanol 26.82
    DEF 160.9
    dimethyl isosorbide 147.13
    tetrachloroethylene 385.32
    eugenol 84.58
    triacetin 119.73
    span 80 55.24
    1,4-butanediol 20.85
    1,1-dichloroethane 227.55
    2-methyl-1-pentanol 36.29
    methyl formate 111.4
    2-methyl-1-butanol 31.85
    n-decane 7.59
    butyronitrile 55.36
    3,7-dimethyl-1-octanol 26.01
    1-chlorooctane 29.55
    1-chlorotetradecane 13.83
    n-nonane 6.82
    undecane 5.84
    tert-butylcyclohexane 12.95
    cyclooctane 12.88
    cyclopentanol 59.93
    tetrahydropyran 107.88
    tert-amyl methyl ether 57.63
    2,5,8-trioxanonane 101.82
    1-hexene 26.38
    2-isopropoxyethanol 57.23
    2,2,2-trifluoroethanol 153.51
    methyl butyrate 116.14

    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