Cycloartocarpesin

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  • Identifiers

    CAS number
    23806-61-3

    Molecular formula
    C20H16O6

    SMILES
    CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=C(C=C(C=C4)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.88%
    Odorless 38.01%
    Spicy 30.01%
    Sweet 27.95%
    Burnt 26.84%
    Medicinal 25.76%
    Smoky 23.4%
    Woody 22.27%
    Vanilla 21.89%
    Fruity 21.81%

     

    Flavor
    Bitter 94.71%
    Cedarleaf 20.39%
    Parsley 19.85%
    Lovage 19.61%
    Odorless 19.37%
    Sweet-like 19.35%
    Ripe apricot 19.28%
    Very strong 19.02%
    Indole 19.02%
    Red fruit 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.49 (weak base)

    Molecular weight
    352.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    971°C

    Flash point

    • 266.81 ˚C est.

  • Synonyms

    • Cycloartocarpesin
    • 23806-61-3
    • DTXSID201316266
    • 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
    • 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano(3,2-g)chromen-6-one
    • RefChem:129366
    • DTXCID401746128
    • CHEMBL221908
    • 8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
    • UL6PD3XK6D
    • CHEBI:175502
    • BDBM50193721
    • LMPK12110915
    • 2-(2,4-dihydroxy-phenyl)-5-hydroxy-8,8-dimethyl-8H-pyrano[3,2-g]chromen-4-one
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethylpyrano[3,2-g]chromen-4(8H)-one
    • 8-(2,4-BIS(OXIDANYL)PHENYL)-2,2-DIMETHYL-5-OXIDANYL-PYRANO(3,2-G)CHROMEN-6-ONE
    • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-
    • 8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one, 9CI
    • 23806-61-3

  • Applications

    Cycloartocarpesin (CAS 23806-61-3) is a natural compound with potential applications across several industrial sectors; in cosmetics and personal care, it may be used as an antioxidant or stabilizing additive; in fragrance, it can serve as a precursor or component for the synthesis of aroma compounds; in pharmaceuticals, it may function as an intermediate or starting point for the synthesis of bioactive derivatives; in polymers/plastics and coatings, it can act as an antioxidant stabilizer; and in cleaning products, it could be evaluated as an antioxidant additive to improve formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.47
    methanol 2.97
    isopropanol 1.79
    water 0.04
    ethyl acetate 7.03
    n-propanol 2.61
    acetone 11.14
    n-butanol 1.88
    acetonitrile 10.37
    DMF 142.51
    toluene 0.56
    isobutanol 2.05
    1,4-dioxane 24.51
    methyl acetate 15.87
    THF 57.57
    2-butanone 11.29
    n-pentanol 2.17
    sec-butanol 1.61
    n-hexane 0.02
    ethylene glycol 18.37
    NMP 144.22
    cyclohexane 0.03
    DMSO 402.05
    n-butyl acetate 8.62
    n-octanol 2.62
    chloroform 1.98
    n-propyl acetate 10.42
    acetic acid 33.86
    dichloromethane 2.21
    cyclohexanone 16.04
    propylene glycol 27.21
    isopropyl acetate 5.87
    DMAc 148.93
    2-ethoxyethanol 35.86
    isopentanol 2.18
    n-heptane 0.05
    ethyl formate 8.31
    1,2-dichloroethane 2.53
    n-hexanol 1.26
    2-methoxyethanol 76.02
    isobutyl acetate 8.04
    tetrachloromethane 0.17
    n-pentyl acetate 7.69
    transcutol 293.96
    n-heptanol 2.0
    ethylbenzene 0.36
    MIBK 5.81
    2-propoxyethanol 52.15
    tert-butanol 3.27
    MTBE 1.69
    2-butoxyethanol 23.28
    propionic acid 17.23
    o-xylene 0.46
    formic acid 25.27
    diethyl ether 1.13
    m-xylene 0.58
    p-xylene 0.67
    chlorobenzene 1.18
    dimethyl carbonate 25.6
    n-octane 0.03
    formamide 44.05
    cyclopentanone 46.33
    2-pentanone 6.03
    anisole 4.45
    cyclopentyl methyl ether 6.21
    gamma-butyrolactone 102.64
    1-methoxy-2-propanol 62.36
    pyridine 11.28
    3-pentanone 5.26
    furfural 59.52
    n-dodecane 0.08
    diethylene glycol 85.26
    diisopropyl ether 0.55
    tert-amyl alcohol 2.33
    acetylacetone 25.75
    n-hexadecane 0.1
    acetophenone 9.77
    methyl propionate 16.27
    isopentyl acetate 9.09
    trichloroethylene 8.55
    n-nonanol 3.01
    cyclohexanol 2.16
    benzyl alcohol 6.38
    2-ethylhexanol 1.4
    isooctanol 2.07
    dipropyl ether 3.05
    1,2-dichlorobenzene 1.71
    ethyl lactate 21.64
    propylene carbonate 30.81
    n-methylformamide 52.4
    2-pentanol 1.09
    n-pentane 0.02
    1-propoxy-2-propanol 37.47
    1-methoxy-2-propyl acetate 35.28
    2-(2-methoxypropoxy) propanol 49.06
    mesitylene 0.4
    ε-caprolactone 25.27
    p-cymene 0.72
    epichlorohydrin 66.95
    1,1,1-trichloroethane 1.57
    2-aminoethanol 15.72
    morpholine-4-carbaldehyde 157.78
    sulfolane 191.74
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 10.16
    n-hexyl acetate 10.5
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 71.42
    sec-butyl acetate 5.66
    tert-butyl acetate 8.81
    decalin 0.05
    glycerin 91.83
    diglyme 112.54
    acrylic acid 30.09
    isopropyl myristate 5.01
    n-butyric acid 10.7
    acetyl acetate 9.12
    di(2-ethylhexyl) phthalate 8.6
    ethyl propionate 9.0
    nitromethane 141.7
    1,2-diethoxyethane 25.63
    benzonitrile 7.03
    trioctyl phosphate 5.57
    1-bromopropane 0.49
    gamma-valerolactone 137.98
    n-decanol 2.38
    triethyl phosphate 8.03
    4-methyl-2-pentanol 1.31
    propionitrile 6.14
    vinylene carbonate 28.74
    1,1,2-trichlorotrifluoroethane 81.98
    DMS 28.04
    cumene 0.36
    2-octanol 1.34
    2-hexanone 7.61
    octyl acetate 7.07
    limonene 0.81
    1,2-dimethoxyethane 51.28
    ethyl orthosilicate 6.37
    tributyl phosphate 7.83
    diacetone alcohol 24.16
    N,N-dimethylaniline 3.61
    acrylonitrile 17.79
    aniline 2.98
    1,3-propanediol 16.34
    bromobenzene 0.87
    dibromomethane 0.83
    1,1,2,2-tetrachloroethane 7.89
    2-methyl-cyclohexyl acetate 9.23
    tetrabutyl urea 12.08
    diisobutyl methanol 1.73
    2-phenylethanol 6.28
    styrene 0.48
    dioctyl adipate 12.5
    dimethyl sulfate 67.92
    ethyl butyrate 8.87
    methyl lactate 49.18
    butyl lactate 19.44
    diethyl carbonate 7.58
    propanediol butyl ether 39.43
    triethyl orthoformate 10.48
    p-tert-butyltoluene 0.73
    methyl 4-tert-butylbenzoate 17.22
    morpholine 36.85
    tert-butylamine 0.73
    n-dodecanol 1.8
    dimethoxymethane 52.54
    ethylene carbonate 19.98
    cyrene 52.71
    2-ethoxyethyl acetate 27.77
    2-ethylhexyl acetate 6.22
    1,2,4-trichlorobenzene 4.04
    4-methylpyridine 7.71
    dibutyl ether 3.81
    2,6-dimethyl-4-heptanol 1.73
    DEF 17.38
    dimethyl isosorbide 98.04
    tetrachloroethylene 2.34
    eugenol 22.48
    triacetin 35.4
    span 80 26.93
    1,4-butanediol 8.61
    1,1-dichloroethane 1.22
    2-methyl-1-pentanol 2.2
    methyl formate 45.89
    2-methyl-1-butanol 1.91
    n-decane 0.1
    butyronitrile 3.38
    3,7-dimethyl-1-octanol 3.09
    1-chlorooctane 0.64
    1-chlorotetradecane 0.41
    n-nonane 0.07
    undecane 0.09
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 5.13
    tetrahydropyran 4.55
    tert-amyl methyl ether 1.88
    2,5,8-trioxanonane 90.18
    1-hexene 0.13
    2-isopropoxyethanol 22.38
    2,2,2-trifluoroethanol 16.34
    methyl butyrate 12.17

    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