Artocarpetin B

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  • Identifiers

    CAS number
    170894-22-1

    Molecular formula
    C22H22O6

    SMILES
    CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)OC)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.25%
    Spicy 46.61%
    Woody 38.8%
    Sweet 32.96%
    Fruity 32.19%
    Smoky 29.78%
    Dry 28.44%
    Animal 25.68%
    Leathery 25.59%
    Medicinal 25.57%

     

    Flavor
    Bitter 88.38%
    Parsley 20.84%
    Bland 20.24%
    Cedarleaf 20.08%
    Lovage 19.76%
    Ripe apricot 18.73%
    Eugenol 18.62%
    Odorless 18.52%
    Heather 18.5%
    Red fruit 18.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.64 (weak base)

    Molecular weight
    382.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    770°C

    Melting point expt.

    • 253 - 257 °C

    Flash point

    • 222.48 ˚C est.

  • Synonyms

    • Artocarpetin B
    • SCHEMBL30555779
    • CHEBI:191800
    • DTXSID001115569
    • LMPK12110908
    • 170894-22-1
    • 4',5-Dihydroxy-2',7-dimethoxy-8-prenylflavone
    • 8-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-7,2'-dimethoxyflavone
    • 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
    • 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
    • 170894-22-1

  • Applications

    Artocarpetin B (CAS 170894-22-1) has potential applications across several industries: in cosmetics and personal care as a natural antioxidant and stabilizer candidate; in polymers and plastics as an oxidative stabilizer or a synthetic-intermediate precursor for specialty materials; in coatings and inks as a processing additive or pigment precursor to enhance durability and handling properties; in pharmaceuticals and chemical research as a scaffold or synthetic intermediate for developing bioactive compounds; and in food processing and fragrances as a flavor/fragrance precursor subject to regulatory evaluation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.32
    methanol 2.33
    isopropanol 2.41
    water 0.0
    ethyl acetate 5.04
    n-propanol 3.45
    acetone 13.24
    n-butanol 2.27
    acetonitrile 5.54
    DMF 90.52
    toluene 0.96
    isobutanol 2.89
    1,4-dioxane 12.79
    methyl acetate 12.02
    THF 56.97
    2-butanone 13.04
    n-pentanol 2.28
    sec-butanol 2.5
    n-hexane 0.03
    ethylene glycol 3.87
    NMP 113.84
    cyclohexane 0.04
    DMSO 174.29
    n-butyl acetate 4.8
    n-octanol 0.97
    chloroform 17.24
    n-propyl acetate 5.73
    acetic acid 27.06
    dichloromethane 17.88
    cyclohexanone 19.58
    propylene glycol 7.43
    isopropyl acetate 3.92
    DMAc 138.7
    2-ethoxyethanol 15.14
    isopentanol 2.44
    n-heptane 0.03
    ethyl formate 4.51
    1,2-dichloroethane 11.21
    n-hexanol 1.19
    2-methoxyethanol 30.7
    isobutyl acetate 4.55
    tetrachloromethane 0.7
    n-pentyl acetate 3.93
    transcutol 69.33
    n-heptanol 1.28
    ethylbenzene 0.54
    MIBK 4.4
    2-propoxyethanol 19.8
    tert-butanol 3.77
    MTBE 2.12
    2-butoxyethanol 10.26
    propionic acid 11.24
    o-xylene 0.7
    formic acid 8.95
    diethyl ether 1.15
    m-xylene 0.67
    p-xylene 1.03
    chlorobenzene 2.81
    dimethyl carbonate 13.32
    n-octane 0.02
    formamide 14.66
    cyclopentanone 50.35
    2-pentanone 6.02
    anisole 3.53
    cyclopentyl methyl ether 6.37
    gamma-butyrolactone 70.12
    1-methoxy-2-propanol 23.84
    pyridine 15.07
    3-pentanone 5.55
    furfural 41.3
    n-dodecane 0.03
    diethylene glycol 23.6
    diisopropyl ether 0.39
    tert-amyl alcohol 3.32
    acetylacetone 16.82
    n-hexadecane 0.04
    acetophenone 8.05
    methyl propionate 10.87
    isopentyl acetate 5.71
    trichloroethylene 42.14
    n-nonanol 1.18
    cyclohexanol 2.75
    benzyl alcohol 6.01
    2-ethylhexanol 1.1
    isooctanol 1.44
    dipropyl ether 1.65
    1,2-dichlorobenzene 3.55
    ethyl lactate 8.16
    propylene carbonate 20.6
    n-methylformamide 21.2
    2-pentanol 1.23
    n-pentane 0.02
    1-propoxy-2-propanol 13.15
    1-methoxy-2-propyl acetate 15.88
    2-(2-methoxypropoxy) propanol 19.01
    mesitylene 0.38
    ε-caprolactone 19.97
    p-cymene 0.71
    epichlorohydrin 79.41
    1,1,1-trichloroethane 6.5
    2-aminoethanol 5.92
    morpholine-4-carbaldehyde 81.06
    sulfolane 132.49
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 13.04
    n-hexyl acetate 4.23
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 19.82
    sec-butyl acetate 3.65
    tert-butyl acetate 5.74
    decalin 0.06
    glycerin 21.76
    diglyme 41.98
    acrylic acid 16.77
    isopropyl myristate 2.04
    n-butyric acid 8.63
    acetyl acetate 6.08
    di(2-ethylhexyl) phthalate 4.52
    ethyl propionate 5.29
    nitromethane 69.73
    1,2-diethoxyethane 7.76
    benzonitrile 5.73
    trioctyl phosphate 2.55
    1-bromopropane 1.91
    gamma-valerolactone 81.75
    n-decanol 0.9
    triethyl phosphate 4.9
    4-methyl-2-pentanol 1.09
    propionitrile 4.74
    vinylene carbonate 18.21
    1,1,2-trichlorotrifluoroethane 83.43
    DMS 13.3
    cumene 0.52
    2-octanol 0.74
    2-hexanone 5.85
    octyl acetate 2.69
    limonene 0.82
    1,2-dimethoxyethane 23.02
    ethyl orthosilicate 3.94
    tributyl phosphate 3.7
    diacetone alcohol 16.1
    N,N-dimethylaniline 3.3
    acrylonitrile 11.21
    aniline 4.22
    1,3-propanediol 8.18
    bromobenzene 2.25
    dibromomethane 5.93
    1,1,2,2-tetrachloroethane 30.03
    2-methyl-cyclohexyl acetate 6.03
    tetrabutyl urea 5.99
    diisobutyl methanol 1.03
    2-phenylethanol 5.33
    styrene 0.7
    dioctyl adipate 5.59
    dimethyl sulfate 41.63
    ethyl butyrate 4.58
    methyl lactate 18.8
    butyl lactate 7.47
    diethyl carbonate 4.16
    propanediol butyl ether 9.86
    triethyl orthoformate 5.08
    p-tert-butyltoluene 0.67
    methyl 4-tert-butylbenzoate 11.13
    morpholine 25.19
    tert-butylamine 1.04
    n-dodecanol 0.68
    dimethoxymethane 27.15
    ethylene carbonate 12.42
    cyrene 26.55
    2-ethoxyethyl acetate 11.93
    2-ethylhexyl acetate 4.05
    1,2,4-trichlorobenzene 7.45
    4-methylpyridine 11.11
    dibutyl ether 1.4
    2,6-dimethyl-4-heptanol 1.03
    DEF 13.77
    dimethyl isosorbide 36.54
    tetrachloroethylene 10.86
    eugenol 11.75
    triacetin 14.31
    span 80 10.96
    1,4-butanediol 3.26
    1,1-dichloroethane 5.85
    2-methyl-1-pentanol 2.52
    methyl formate 17.33
    2-methyl-1-butanol 2.57
    n-decane 0.05
    butyronitrile 3.11
    3,7-dimethyl-1-octanol 1.47
    1-chlorooctane 0.37
    1-chlorotetradecane 0.21
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 6.27
    tetrahydropyran 5.49
    tert-amyl methyl ether 2.03
    2,5,8-trioxanonane 31.68
    1-hexene 0.21
    2-isopropoxyethanol 10.36
    2,2,2-trifluoroethanol 10.31
    methyl butyrate 7.75

    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