Artocarpin

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  • Identifiers

    CAS number
    7608-44-8

    Molecular formula
    C26H28O6

    SMILES
    CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 49.17%
    Phenolic 47.31%
    Woody 37.8%
    Herbal 32.29%
    Fruity 29.36%
    Smoky 28.67%
    Dry 26.96%
    Medicinal 26.12%
    Leathery 24.64%
    Burnt 24.18%

     

    Flavor
    Bitter 87.14%
    Cedarleaf 20.01%
    Parsley 19.64%
    Lovage 19.59%
    Bland 19.01%
    Odorless 18.69%
    Nitrile 18.46%
    Broom 18.29%
    Heather 18.28%
    Thymol 18.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    10.33 (weak base)

    Molecular weight
    436.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1618°C

    Melting point expt.

    • 174 - 175 °C

    Flash point

    • 246.26 ˚C est.

  • Synonyms

    • ARTOCARPIN
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one
    • CHEBI:65439
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(1E)-3-methylbut-1-en-1-yl]-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-((1E)-3-methylbut-1-en-1-yl)-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-((E)-3-methylbut-1-enyl)-3-(3-methylbut-2-enyl)chromen-4-one
    • RefChem:1077247
    • 7608-44-8
    • NSC241010
    • CHEMBL72617
    • Artocarpin Lectin
    • Artocaprin
    • SCHEMBL374230
    • SCHEMBL29580397
    • SCHEMBL29929391
    • GLXC-18522
    • HY-N2902
    • BDBM50051348
    • AKOS040760278
    • FS-9016
    • NSC-241010
    • DA-50725
    • CS-0023492
    • Q27133884
    • 2-(2,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-6-((E)-3-methyl-but-1-enyl)-3-(3-methyl-but-2-enyl)-chromen-4-one
    • 2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
    • 2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-chromen-4-one
    • 5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-6-(3-methyl-1-butenyl)-2-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one
    • 7608-44-8

  • Applications

    Artocarpin (CAS 7608-44-8) is a natural product used primarily as a synthetic intermediate and specialty-chemical building block in organic synthesis; it may be employed as an intermediate in pharmaceutical and specialty chemical manufacture, and is being evaluated for cosmetics and personal care as a natural ingredient with stabilizing and color-imparting potential; in polymers and plastics, it is studied as an antioxidant or stabilizer for formulations; in coatings and inks, it can serve as a precursor to colorants or as a specialty additive; owing to its plant-derived origin, it may be considered as a bio-based option in industrial formulations, subject to regulatory and purity constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.7
    methanol 6.36
    isopropanol 4.79
    water 0.0
    ethyl acetate 7.34
    n-propanol 7.25
    acetone 17.94
    n-butanol 4.68
    acetonitrile 5.88
    DMF 79.55
    toluene 2.55
    isobutanol 5.23
    1,4-dioxane 18.01
    methyl acetate 17.04
    THF 69.56
    2-butanone 20.57
    n-pentanol 4.79
    sec-butanol 5.67
    n-hexane 0.07
    ethylene glycol 5.04
    NMP 150.82
    cyclohexane 0.09
    DMSO 103.66
    n-butyl acetate 6.88
    n-octanol 1.54
    chloroform 24.47
    n-propyl acetate 8.58
    acetic acid 39.06
    dichloromethane 23.96
    cyclohexanone 27.53
    propylene glycol 14.19
    isopropyl acetate 5.24
    DMAc 126.55
    2-ethoxyethanol 20.08
    isopentanol 4.09
    n-heptane 0.06
    ethyl formate 6.89
    1,2-dichloroethane 15.31
    n-hexanol 2.65
    2-methoxyethanol 42.03
    isobutyl acetate 6.44
    tetrachloromethane 1.03
    n-pentyl acetate 6.7
    transcutol 88.12
    n-heptanol 2.39
    ethylbenzene 1.13
    MIBK 6.18
    2-propoxyethanol 25.89
    tert-butanol 5.45
    MTBE 3.35
    2-butoxyethanol 15.76
    propionic acid 18.53
    o-xylene 1.45
    formic acid 11.98
    diethyl ether 2.11
    m-xylene 1.44
    p-xylene 2.04
    chlorobenzene 5.51
    dimethyl carbonate 15.42
    n-octane 0.04
    formamide 16.74
    cyclopentanone 66.27
    2-pentanone 10.04
    anisole 5.72
    cyclopentyl methyl ether 9.5
    gamma-butyrolactone 88.09
    1-methoxy-2-propanol 33.86
    pyridine 26.35
    3-pentanone 8.56
    furfural 53.09
    n-dodecane 0.04
    diethylene glycol 25.46
    diisopropyl ether 0.57
    tert-amyl alcohol 6.0
    acetylacetone 22.68
    n-hexadecane 0.05
    acetophenone 11.63
    methyl propionate 15.59
    isopentyl acetate 8.11
    trichloroethylene 55.25
    n-nonanol 1.76
    cyclohexanol 4.97
    benzyl alcohol 9.41
    2-ethylhexanol 1.82
    isooctanol 2.33
    dipropyl ether 2.35
    1,2-dichlorobenzene 5.41
    ethyl lactate 10.87
    propylene carbonate 28.51
    n-methylformamide 24.88
    2-pentanol 2.55
    n-pentane 0.06
    1-propoxy-2-propanol 18.78
    1-methoxy-2-propyl acetate 20.58
    2-(2-methoxypropoxy) propanol 23.75
    mesitylene 0.64
    ε-caprolactone 29.46
    p-cymene 1.06
    epichlorohydrin 97.94
    1,1,1-trichloroethane 9.07
    2-aminoethanol 10.24
    morpholine-4-carbaldehyde 91.46
    sulfolane 166.86
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 19.19
    n-hexyl acetate 6.63
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 26.5
    sec-butyl acetate 5.25
    tert-butyl acetate 7.64
    decalin 0.11
    glycerin 31.34
    diglyme 45.94
    acrylic acid 25.69
    isopropyl myristate 2.62
    n-butyric acid 15.37
    acetyl acetate 7.43
    di(2-ethylhexyl) phthalate 6.38
    ethyl propionate 7.4
    nitromethane 67.35
    1,2-diethoxyethane 9.77
    benzonitrile 7.6
    trioctyl phosphate 3.51
    1-bromopropane 3.49
    gamma-valerolactone 112.68
    n-decanol 1.28
    triethyl phosphate 5.53
    4-methyl-2-pentanol 1.75
    propionitrile 6.19
    vinylene carbonate 24.33
    1,1,2-trichlorotrifluoroethane 100.72
    DMS 16.92
    cumene 0.89
    2-octanol 1.39
    2-hexanone 8.98
    octyl acetate 3.74
    limonene 1.18
    1,2-dimethoxyethane 25.03
    ethyl orthosilicate 4.68
    tributyl phosphate 4.75
    diacetone alcohol 21.83
    N,N-dimethylaniline 4.93
    acrylonitrile 12.34
    aniline 8.02
    1,3-propanediol 13.04
    bromobenzene 4.38
    dibromomethane 8.99
    1,1,2,2-tetrachloroethane 39.37
    2-methyl-cyclohexyl acetate 7.68
    tetrabutyl urea 7.34
    diisobutyl methanol 1.42
    2-phenylethanol 8.45
    styrene 1.5
    dioctyl adipate 6.98
    dimethyl sulfate 41.15
    ethyl butyrate 5.97
    methyl lactate 24.41
    butyl lactate 12.92
    diethyl carbonate 4.85
    propanediol butyl ether 18.61
    triethyl orthoformate 6.42
    p-tert-butyltoluene 1.02
    methyl 4-tert-butylbenzoate 15.44
    morpholine 33.99
    tert-butylamine 1.57
    n-dodecanol 0.91
    dimethoxymethane 32.11
    ethylene carbonate 16.24
    cyrene 35.28
    2-ethoxyethyl acetate 17.27
    2-ethylhexyl acetate 5.65
    1,2,4-trichlorobenzene 11.82
    4-methylpyridine 18.41
    dibutyl ether 1.82
    2,6-dimethyl-4-heptanol 1.42
    DEF 17.94
    dimethyl isosorbide 47.07
    tetrachloroethylene 15.32
    eugenol 16.99
    triacetin 18.99
    span 80 18.09
    1,4-butanediol 5.2
    1,1-dichloroethane 9.31
    2-methyl-1-pentanol 4.71
    methyl formate 20.0
    2-methyl-1-butanol 4.92
    n-decane 0.07
    butyronitrile 4.25
    3,7-dimethyl-1-octanol 2.15
    1-chlorooctane 0.58
    1-chlorotetradecane 0.28
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.1
    cyclooctane 0.03
    cyclopentanol 11.08
    tetrahydropyran 9.61
    tert-amyl methyl ether 3.18
    2,5,8-trioxanonane 33.65
    1-hexene 0.51
    2-isopropoxyethanol 13.1
    2,2,2-trifluoroethanol 11.27
    methyl butyrate 10.84

    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