Swertianin

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  • Identifiers

    CAS number
    20882-75-1

    Molecular formula
    C14H10O6

    SMILES
    COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.84%
    Odorless 52.22%
    Burnt 38.7%
    Smoky 29.11%
    Spicy 27.06%
    Medicinal 26.27%
    Vanilla 23.24%
    Balsamic 21.95%
    Dry 19.81%
    Woody 19.77%

     

    Flavor
    Bitter 92.47%
    Odorless 24.88%
    Bland 21.81%
    Sweet-like 21.34%
    Cedarleaf 20.47%
    Parsley 20.31%
    Eugenol 20.24%
    Lovage 19.84%
    Very strong 19.81%
    Indole 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.46 (weak base)

    Molecular weight
    274.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    765°C

    Flash point

    • 233.26 ˚C est.

  • Synonyms

    • Swertianin
    • 20882-75-1
    • Gentiakochianin
    • 1,2,8-Trihydroxy-6-methoxy-9H-xanthen-9-one
    • 1,2,8-trihydroxy-6-methoxyxanthen-9-one
    • 9H-Xanthen-9-one, 1,2,8-trihydroxy-6-methoxy-
    • 890WXQ4KC0
    • 1,2,8-Trihydroxy-6-methoxy-xanthen-9-one
    • NSC-289490
    • CHEBI:9371
    • DTXSID60174998
    • RefChem:932436
    • DTXCID2097489
    • SWERTIANINE
    • Xanthen-9-one, 6-methoxy-1,2,8-trihydroxy-
    • 1,7,8-trihydroxy-3-methoxyxanthone
    • 1,2,8-Trihydroxy-6-methoxyxanthone
    • NSC 289490
    • BRN 1351024
    • CHEMBL187044
    • MFCD01328726
    • GENTIAKOXIANIN
    • 6-Methoxy-1,2,8-trihydroxyxanthen-9-one
    • UNII-890WXQ4KC0
    • orb1705901
    • SCHEMBL29894101
    • HY-N1994
    • BDBM50155435
    • NSC289490
    • AKOS016010617
    • DA-69375
    • ST077131
    • 3-METHOXY-1,7,8-TRIHYDROXYXANTHONE
    • CS-0018315
    • NS00120342
    • 1,3,7,8-TETRAHYDROXYXANTHONE 3-METHYL ETHER
    • Q27108364
    • XANTHEN-9-ONE, 1,2,8-TRIHYDROXY-6-METHOXY-
    • 20882-75-1

  • Applications

    Swertianin (CAS 20882-75-1) is a natural product that is primarily evaluated in pharmaceutical and biomedical research as a potential lead compound or pharmacophore and can serve as a building block in the synthesis of related lignans. It is also used in analytical natural products chemistry as a reference material or precursor for isolation and method development workflows. In cosmetics and personal care, Swertianin is investigated as a potential bioactive ingredient for inclusion in skin care formulations. Additionally, it is used as a model compound in academic studies to explore structure-activity relationships of related natural products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.9
    methanol 4.92
    isopropanol 5.24
    water 0.02
    ethyl acetate 8.82
    n-propanol 5.85
    acetone 4.37
    n-butanol 6.15
    acetonitrile 3.43
    DMF 65.66
    toluene 0.27
    isobutanol 3.84
    1,4-dioxane 8.36
    methyl acetate 8.71
    THF 69.19
    2-butanone 11.43
    n-pentanol 3.06
    sec-butanol 5.71
    n-hexane 0.03
    ethylene glycol 12.55
    NMP 83.05
    cyclohexane 0.06
    DMSO 418.64
    n-butyl acetate 6.34
    n-octanol 1.48
    chloroform 0.23
    n-propyl acetate 6.29
    acetic acid 9.95
    dichloromethane 0.36
    cyclohexanone 15.95
    propylene glycol 9.8
    isopropyl acetate 5.54
    DMAc 102.35
    2-ethoxyethanol 23.76
    isopentanol 5.37
    n-heptane 0.07
    ethyl formate 5.9
    1,2-dichloroethane 1.07
    n-hexanol 2.86
    2-methoxyethanol 80.08
    isobutyl acetate 2.37
    tetrachloromethane 0.13
    n-pentyl acetate 3.23
    transcutol 40.66
    n-heptanol 1.97
    ethylbenzene 0.35
    MIBK 5.47
    2-propoxyethanol 32.32
    tert-butanol 7.38
    MTBE 1.89
    2-butoxyethanol 11.76
    propionic acid 9.34
    o-xylene 0.49
    formic acid 14.14
    diethyl ether 1.95
    m-xylene 0.36
    p-xylene 0.46
    chlorobenzene 0.32
    dimethyl carbonate 11.66
    n-octane 0.03
    formamide 35.55
    cyclopentanone 36.16
    2-pentanone 9.31
    anisole 2.59
    cyclopentyl methyl ether 9.92
    gamma-butyrolactone 48.94
    1-methoxy-2-propanol 54.73
    pyridine 5.14
    3-pentanone 6.11
    furfural 24.69
    n-dodecane 0.05
    diethylene glycol 47.14
    diisopropyl ether 0.61
    tert-amyl alcohol 6.95
    acetylacetone 13.24
    n-hexadecane 0.06
    acetophenone 5.42
    methyl propionate 14.99
    isopentyl acetate 5.09
    trichloroethylene 1.56
    n-nonanol 1.66
    cyclohexanol 5.77
    benzyl alcohol 4.19
    2-ethylhexanol 2.14
    isooctanol 1.71
    dipropyl ether 2.9
    1,2-dichlorobenzene 0.57
    ethyl lactate 10.95
    propylene carbonate 13.67
    n-methylformamide 29.8
    2-pentanol 3.75
    n-pentane 0.03
    1-propoxy-2-propanol 20.47
    1-methoxy-2-propyl acetate 16.95
    2-(2-methoxypropoxy) propanol 15.36
    mesitylene 0.29
    ε-caprolactone 19.12
    p-cymene 0.74
    epichlorohydrin 34.5
    1,1,1-trichloroethane 0.49
    2-aminoethanol 13.96
    morpholine-4-carbaldehyde 56.27
    sulfolane 108.52
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 16.34
    n-hexyl acetate 3.74
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 18.38
    sec-butyl acetate 3.59
    tert-butyl acetate 7.0
    decalin 0.07
    glycerin 44.06
    diglyme 32.99
    acrylic acid 10.62
    isopropyl myristate 1.85
    n-butyric acid 10.93
    acetyl acetate 3.79
    di(2-ethylhexyl) phthalate 3.05
    ethyl propionate 7.65
    nitromethane 30.52
    1,2-diethoxyethane 6.39
    benzonitrile 2.76
    trioctyl phosphate 2.48
    1-bromopropane 0.57
    gamma-valerolactone 55.58
    n-decanol 1.32
    triethyl phosphate 5.34
    4-methyl-2-pentanol 2.23
    propionitrile 5.29
    vinylene carbonate 9.03
    1,1,2-trichlorotrifluoroethane 37.59
    DMS 7.6
    cumene 0.35
    2-octanol 1.17
    2-hexanone 5.85
    octyl acetate 2.59
    limonene 1.03
    1,2-dimethoxyethane 33.58
    ethyl orthosilicate 4.31
    tributyl phosphate 3.09
    diacetone alcohol 26.56
    N,N-dimethylaniline 2.59
    acrylonitrile 8.52
    aniline 2.39
    1,3-propanediol 26.56
    bromobenzene 0.2
    dibromomethane 0.23
    1,1,2,2-tetrachloroethane 2.32
    2-methyl-cyclohexyl acetate 4.72
    tetrabutyl urea 5.08
    diisobutyl methanol 1.68
    2-phenylethanol 4.92
    styrene 0.3
    dioctyl adipate 3.91
    dimethyl sulfate 35.8
    ethyl butyrate 6.21
    methyl lactate 28.22
    butyl lactate 6.6
    diethyl carbonate 4.95
    propanediol butyl ether 9.97
    triethyl orthoformate 5.82
    p-tert-butyltoluene 0.67
    methyl 4-tert-butylbenzoate 7.28
    morpholine 23.45
    tert-butylamine 1.55
    n-dodecanol 0.99
    dimethoxymethane 33.06
    ethylene carbonate 8.31
    cyrene 20.15
    2-ethoxyethyl acetate 6.64
    2-ethylhexyl acetate 3.69
    1,2,4-trichlorobenzene 1.21
    4-methylpyridine 4.63
    dibutyl ether 1.58
    2,6-dimethyl-4-heptanol 1.68
    DEF 20.68
    dimethyl isosorbide 26.52
    tetrachloroethylene 1.27
    eugenol 8.44
    triacetin 7.15
    span 80 8.46
    1,4-butanediol 6.07
    1,1-dichloroethane 0.37
    2-methyl-1-pentanol 3.23
    methyl formate 15.68
    2-methyl-1-butanol 4.83
    n-decane 0.07
    butyronitrile 4.29
    3,7-dimethyl-1-octanol 1.71
    1-chlorooctane 0.36
    1-chlorotetradecane 0.21
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 10.07
    tetrahydropyran 5.3
    tert-amyl methyl ether 2.92
    2,5,8-trioxanonane 25.44
    1-hexene 0.21
    2-isopropoxyethanol 12.81
    2,2,2-trifluoroethanol 8.1
    methyl butyrate 10.35

    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