Artonin E

Overview IFRA Request a quote

  • Identifiers

    CAS number
    129683-93-8

    Molecular formula
    C25H24O7

    SMILES
    CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.9%
    Spicy 38.93%
    Odorless 34.66%
    Woody 28.75%
    Smoky 27.93%
    Burnt 27.77%
    Dry 25.03%
    Fruity 24.11%
    Medicinal 22.85%
    Balsamic 20.92%

     

    Flavor
    Bitter 93.19%
    Cedarleaf 20.2%
    Bland 20.15%
    Parsley 19.81%
    Odorless 19.68%
    Lovage 19.32%
    Sweet-like 18.62%
    Ripe apricot 18.48%
    Red fruit 18.48%
    Eugenol 18.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    10.32 (weak base)

    Molecular weight
    436.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1550°C

    Melting point expt.

    • 244 - 248 °C

    Flash point

    • 271.38 ˚C est.

  • Synonyms

    • Artonin E
    • 5'-Hydroxymorusin
    • 129683-93-8
    • 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
    • DTXSID30156221
    • 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-
    • 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano(2,3-h)chromen-4-one
    • RefChem:114362
    • DTXCID8078712
    • CHEMBL463106
    • KB 3
    • orb1744342
    • SCHEMBL4929818
    • SCHEMBL30605038
    • LMPK12110925
    • DA-61229
    • HY-125612
    • CS-0092473
    • 5-Hydroxy-8,8-dimethyl-3-(3-methyl-but-2-enyl)-2-(2,4,5-trihydroxy-phenyl)-8H-benzo[1,2-b:4,3-b']dipyran-4-one
    • 5-Hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
    • 129683-93-8

  • Applications

    Artonin E (CAS 129683-93-8) is primarily encountered in chemical and life-science contexts as a natural product and as a building block intermediate for the synthesis of xanthone compounds and related chemical libraries; it is used in research to evaluate biological activity and to support enzyme-related assays; it serves as a reference standard for analytical methods such as HPLC/LC-MS for the quantitative analysis of xanthone-related materials; it is also considered as a component in natural product chemistry workflows for isolation and structure comparison with related analogs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.83
    methanol 10.7
    isopropanol 5.94
    water 0.02
    ethyl acetate 14.05
    n-propanol 9.19
    acetone 25.92
    n-butanol 5.42
    acetonitrile 10.83
    DMF 132.4
    toluene 1.94
    isobutanol 5.25
    1,4-dioxane 30.62
    methyl acetate 25.98
    THF 104.29
    2-butanone 27.81
    n-pentanol 5.01
    sec-butanol 5.63
    n-hexane 0.08
    ethylene glycol 9.7
    NMP 153.23
    cyclohexane 0.13
    DMSO 203.76
    n-butyl acetate 12.65
    n-octanol 3.19
    chloroform 22.25
    n-propyl acetate 13.91
    acetic acid 58.68
    dichloromethane 15.7
    cyclohexanone 32.9
    propylene glycol 18.79
    isopropyl acetate 9.67
    DMAc 181.64
    2-ethoxyethanol 34.27
    isopentanol 4.62
    n-heptane 0.11
    ethyl formate 12.62
    1,2-dichloroethane 11.41
    n-hexanol 3.61
    2-methoxyethanol 70.48
    isobutyl acetate 9.58
    tetrachloromethane 1.08
    n-pentyl acetate 10.8
    transcutol 106.04
    n-heptanol 3.71
    ethylbenzene 1.09
    MIBK 8.98
    2-propoxyethanol 48.98
    tert-butanol 6.92
    MTBE 4.4
    2-butoxyethanol 25.34
    propionic acid 24.03
    o-xylene 1.36
    formic acid 24.84
    diethyl ether 3.82
    m-xylene 1.25
    p-xylene 1.94
    chlorobenzene 3.64
    dimethyl carbonate 29.76
    n-octane 0.07
    formamide 34.08
    cyclopentanone 76.29
    2-pentanone 14.39
    anisole 7.72
    cyclopentyl methyl ether 13.31
    gamma-butyrolactone 117.96
    1-methoxy-2-propanol 56.88
    pyridine 25.99
    3-pentanone 11.9
    furfural 59.31
    n-dodecane 0.12
    diethylene glycol 49.67
    diisopropyl ether 1.09
    tert-amyl alcohol 6.02
    acetylacetone 31.17
    n-hexadecane 0.14
    acetophenone 14.29
    methyl propionate 27.05
    isopentyl acetate 12.78
    trichloroethylene 40.37
    n-nonanol 3.48
    cyclohexanol 4.91
    benzyl alcohol 10.42
    2-ethylhexanol 2.74
    isooctanol 3.46
    dipropyl ether 4.77
    1,2-dichlorobenzene 4.19
    ethyl lactate 18.11
    propylene carbonate 37.89
    n-methylformamide 47.21
    2-pentanol 3.05
    n-pentane 0.08
    1-propoxy-2-propanol 31.91
    1-methoxy-2-propyl acetate 33.24
    2-(2-methoxypropoxy) propanol 31.78
    mesitylene 0.69
    ε-caprolactone 37.17
    p-cymene 1.31
    epichlorohydrin 95.96
    1,1,1-trichloroethane 8.33
    2-aminoethanol 15.25
    morpholine-4-carbaldehyde 125.6
    sulfolane 196.39
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 22.94
    n-hexyl acetate 10.93
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 39.5
    sec-butyl acetate 8.72
    tert-butyl acetate 11.72
    decalin 0.13
    glycerin 45.15
    diglyme 63.88
    acrylic acid 32.86
    isopropyl myristate 5.0
    n-butyric acid 19.79
    acetyl acetate 12.74
    di(2-ethylhexyl) phthalate 8.68
    ethyl propionate 12.69
    nitromethane 118.8
    1,2-diethoxyethane 16.78
    benzonitrile 9.56
    trioctyl phosphate 6.03
    1-bromopropane 3.2
    gamma-valerolactone 142.72
    n-decanol 2.61
    triethyl phosphate 8.76
    4-methyl-2-pentanol 2.29
    propionitrile 10.14
    vinylene carbonate 33.31
    1,1,2-trichlorotrifluoroethane 100.81
    DMS 24.16
    cumene 0.92
    2-octanol 2.38
    2-hexanone 12.52
    octyl acetate 6.97
    limonene 1.56
    1,2-dimethoxyethane 49.26
    ethyl orthosilicate 7.26
    tributyl phosphate 7.58
    diacetone alcohol 28.43
    N,N-dimethylaniline 6.46
    acrylonitrile 20.09
    aniline 7.06
    1,3-propanediol 18.89
    bromobenzene 3.01
    dibromomethane 6.5
    1,1,2,2-tetrachloroethane 33.89
    2-methyl-cyclohexyl acetate 11.07
    tetrabutyl urea 11.91
    diisobutyl methanol 2.19
    2-phenylethanol 10.61
    styrene 1.41
    dioctyl adipate 10.81
    dimethyl sulfate 69.41
    ethyl butyrate 10.56
    methyl lactate 43.02
    butyl lactate 17.56
    diethyl carbonate 8.65
    propanediol butyl ether 26.3
    triethyl orthoformate 10.99
    p-tert-butyltoluene 1.28
    methyl 4-tert-butylbenzoate 17.54
    morpholine 47.41
    tert-butylamine 1.68
    n-dodecanol 1.92
    dimethoxymethane 62.22
    ethylene carbonate 24.29
    cyrene 42.98
    2-ethoxyethyl acetate 24.06
    2-ethylhexyl acetate 9.18
    1,2,4-trichlorobenzene 9.39
    4-methylpyridine 18.45
    dibutyl ether 3.55
    2,6-dimethyl-4-heptanol 2.19
    DEF 27.12
    dimethyl isosorbide 59.95
    tetrachloroethylene 11.81
    eugenol 19.83
    triacetin 26.37
    span 80 22.1
    1,4-butanediol 7.56
    1,1-dichloroethane 8.4
    2-methyl-1-pentanol 4.29
    methyl formate 39.22
    2-methyl-1-butanol 4.71
    n-decane 0.17
    butyronitrile 6.32
    3,7-dimethyl-1-octanol 3.59
    1-chlorooctane 1.03
    1-chlorotetradecane 0.56
    n-nonane 0.13
    undecane 0.14
    tert-butylcyclohexane 0.12
    cyclooctane 0.06
    cyclopentanol 11.03
    tetrahydropyran 13.01
    tert-amyl methyl ether 4.48
    2,5,8-trioxanonane 49.03
    1-hexene 0.55
    2-isopropoxyethanol 20.83
    2,2,2-trifluoroethanol 18.38
    methyl butyrate 16.97

    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