Cycloartocarpin A

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  • Identifiers

    CAS number
    156127-37-6

    Molecular formula
    C26H26O6

    SMILES
    CC(C)/C=C/C1=C(C2=C(C=C1O)OC3=C(C2=O)C(OC4=C3C=CC(=C4)OC)C=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 47.98%
    Phenolic 40.84%
    Herbal 40.28%
    Woody 34.84%
    Mint 25.93%
    Smoky 24.96%
    Fruity 24.62%
    Sweet 24.61%
    Dry 23.16%
    Medicinal 23.06%

     

    Flavor
    Bitter 90.68%
    Cedarleaf 19.49%
    Lovage 19.26%
    Parsley 18.99%
    Bland 18.29%
    Nitrile 17.59%
    Heather 17.5%
    Broom 17.49%
    Ripe apricot 17.45%
    Red fruit 17.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    9.6 (weak base)

    Molecular weight
    434.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1752°C

    Melting point expt.

    • 262 - 264 °C

    Flash point

    • 245.89 ˚C est.

  • Synonyms

    • cycloartocarpin A
    • 8,10-dihydroxy-3-methoxy-9-[(E)-3-methylbut-1-enyl]-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
    • 156127-37-6
    • 8,10-dihydroxy-3-methoxy-9-((E)-3-methylbut-1-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno(4,3-b)chromen-7-one
    • RefChem:129367
    • Cycloartocarpin?
    • CHEMBL463093
    • SCHEMBL30637480
    • CHEBI:187603
    • LMPK12110936
    • 156127-37-6

  • Applications

    Cycloartocarpin A (CAS 156127-37-6) is a cycloartane-type triterpene isolated from Artocarpus species and is mainly used in research and development settings. In practice, it is viewed as a natural product with potential as a lead compound in pharmaceutical discovery programs and SAR-driven synthetic studies. It can serve as an intermediate substrate in organic synthesis and in derivatization of natural products. Additionally, Cycloartocarpin A may be evaluated for cosmetic and personal care applications as a bioactive ingredient; in agricultural research it is considered for potential development as a bio-based pest-management lead. Finally, it can function as an analytical reference standard to confirm identity and provenance of natural products in quantitative and profiling analyses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.69
    methanol 4.22
    isopropanol 3.1
    water 0.01
    ethyl acetate 9.91
    n-propanol 5.01
    acetone 20.69
    n-butanol 3.68
    acetonitrile 7.18
    DMF 59.62
    toluene 5.08
    isobutanol 4.0
    1,4-dioxane 20.42
    methyl acetate 18.39
    THF 56.11
    2-butanone 20.57
    n-pentanol 4.16
    sec-butanol 3.7
    n-hexane 0.12
    ethylene glycol 4.24
    NMP 136.41
    cyclohexane 0.23
    DMSO 67.51
    n-butyl acetate 11.09
    n-octanol 2.5
    chloroform 49.46
    n-propyl acetate 10.87
    acetic acid 43.12
    dichloromethane 41.12
    cyclohexanone 36.87
    propylene glycol 8.79
    isopropyl acetate 7.84
    DMAc 97.88
    2-ethoxyethanol 16.93
    isopentanol 3.91
    n-heptane 0.14
    ethyl formate 9.7
    1,2-dichloroethane 21.61
    n-hexanol 3.18
    2-methoxyethanol 28.9
    isobutyl acetate 9.16
    tetrachloromethane 2.64
    n-pentyl acetate 10.88
    transcutol 84.87
    n-heptanol 3.28
    ethylbenzene 2.17
    MIBK 8.15
    2-propoxyethanol 25.78
    tert-butanol 4.23
    MTBE 3.35
    2-butoxyethanol 16.84
    propionic acid 20.26
    o-xylene 3.02
    formic acid 13.35
    diethyl ether 2.54
    m-xylene 3.11
    p-xylene 3.8
    chlorobenzene 10.84
    dimethyl carbonate 21.5
    n-octane 0.08
    formamide 17.11
    cyclopentanone 68.55
    2-pentanone 11.77
    anisole 7.47
    cyclopentyl methyl ether 11.9
    gamma-butyrolactone 83.8
    1-methoxy-2-propanol 22.88
    pyridine 31.32
    3-pentanone 11.28
    furfural 63.1
    n-dodecane 0.12
    diethylene glycol 25.6
    diisopropyl ether 0.94
    tert-amyl alcohol 4.21
    acetylacetone 27.08
    n-hexadecane 0.15
    acetophenone 16.2
    methyl propionate 18.44
    isopentyl acetate 12.37
    trichloroethylene 84.89
    n-nonanol 2.92
    cyclohexanol 5.77
    benzyl alcohol 12.14
    2-ethylhexanol 2.84
    isooctanol 3.12
    dipropyl ether 3.31
    1,2-dichlorobenzene 11.32
    ethyl lactate 13.15
    propylene carbonate 37.95
    n-methylformamide 23.3
    2-pentanol 2.25
    n-pentane 0.1
    1-propoxy-2-propanol 19.59
    1-methoxy-2-propyl acetate 26.78
    2-(2-methoxypropoxy) propanol 26.79
    mesitylene 1.54
    ε-caprolactone 36.16
    p-cymene 2.35
    epichlorohydrin 87.96
    1,1,1-trichloroethane 18.04
    2-aminoethanol 7.13
    morpholine-4-carbaldehyde 84.12
    sulfolane 149.96
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 19.75
    n-hexyl acetate 10.59
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 30.03
    sec-butyl acetate 7.39
    tert-butyl acetate 10.12
    decalin 0.26
    glycerin 23.31
    diglyme 49.47
    acrylic acid 30.32
    isopropyl myristate 4.77
    n-butyric acid 17.52
    acetyl acetate 13.01
    di(2-ethylhexyl) phthalate 10.25
    ethyl propionate 9.52
    nitromethane 70.33
    1,2-diethoxyethane 13.0
    benzonitrile 12.58
    trioctyl phosphate 5.79
    1-bromopropane 5.54
    gamma-valerolactone 109.46
    n-decanol 2.16
    triethyl phosphate 8.94
    4-methyl-2-pentanol 1.99
    propionitrile 7.06
    vinylene carbonate 36.63
    1,1,2-trichlorotrifluoroethane 106.76
    DMS 25.21
    cumene 1.7
    2-octanol 1.97
    2-hexanone 10.46
    octyl acetate 6.53
    limonene 2.57
    1,2-dimethoxyethane 21.95
    ethyl orthosilicate 7.37
    tributyl phosphate 7.79
    diacetone alcohol 20.78
    N,N-dimethylaniline 6.67
    acrylonitrile 14.3
    aniline 11.44
    1,3-propanediol 9.61
    bromobenzene 9.79
    dibromomethane 17.7
    1,1,2,2-tetrachloroethane 58.42
    2-methyl-cyclohexyl acetate 12.44
    tetrabutyl urea 11.37
    diisobutyl methanol 2.18
    2-phenylethanol 11.74
    styrene 2.98
    dioctyl adipate 11.77
    dimethyl sulfate 48.33
    ethyl butyrate 9.4
    methyl lactate 27.01
    butyl lactate 15.71
    diethyl carbonate 8.01
    propanediol butyl ether 19.88
    triethyl orthoformate 9.46
    p-tert-butyltoluene 2.16
    methyl 4-tert-butylbenzoate 20.4
    morpholine 29.76
    tert-butylamine 1.44
    n-dodecanol 1.6
    dimethoxymethane 28.33
    ethylene carbonate 25.79
    cyrene 40.47
    2-ethoxyethyl acetate 23.76
    2-ethylhexyl acetate 9.43
    1,2,4-trichlorobenzene 22.21
    4-methylpyridine 23.38
    dibutyl ether 2.91
    2,6-dimethyl-4-heptanol 2.18
    DEF 19.16
    dimethyl isosorbide 53.97
    tetrachloroethylene 27.81
    eugenol 21.22
    triacetin 27.91
    span 80 21.51
    1,4-butanediol 4.33
    1,1-dichloroethane 15.71
    2-methyl-1-pentanol 4.47
    methyl formate 22.64
    2-methyl-1-butanol 4.21
    n-decane 0.18
    butyronitrile 5.2
    3,7-dimethyl-1-octanol 3.19
    1-chlorooctane 1.26
    1-chlorotetradecane 0.66
    n-nonane 0.13
    undecane 0.15
    tert-butylcyclohexane 0.22
    cyclooctane 0.08
    cyclopentanol 10.38
    tetrahydropyran 11.32
    tert-amyl methyl ether 3.36
    2,5,8-trioxanonane 39.95
    1-hexene 0.81
    2-isopropoxyethanol 12.33
    2,2,2-trifluoroethanol 15.98
    methyl butyrate 12.71

    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