Xanthoangelol F

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  • Identifiers

    CAS number
    265652-71-9

    Molecular formula
    C26H30O4

    SMILES
    CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 59.93%
    Sweet 51.6%
    Fruity 50.64%
    Spicy 47.95%
    Balsamic 44.05%
    Woody 34.85%
    Fresh 32.9%
    Herbal 30.23%
    Rose 28.58%
    Powdery 28.22%

     

    Flavor
    Bitter 68.69%
    Herbal 24.73%
    Lovage 19.92%
    Heather 19.59%
    Broom 19.42%
    Parsley 19.29%
    Genet 19.28%
    Oriental 19.2%
    Spicy 19.2%
    Cedarleaf 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    10.04 (weak base)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    590°C

    Flash point

    • 227.33 ˚C est.

  • Synonyms

    • Xanthoangelol F
    • 265652-71-9
    • KA6UD18T8H
    • UNII-KA6UD18T8H
    • (2E)-1-(3-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • 2-Propen-1-one, 1-(3-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
    • 2-Propen-1-one, 1-(3-((2E)-3,7-dimethyl-2,6-octadienyl)-2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
    • 2-Propen-1-one, 1-[3-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-
    • RefChem:51689
    • CHEMBL1722838
    • (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 3'-Geranyl-2',4-dihydroxy-4'-methoxychalcone
    • MLS002472956
    • SCHEMBL5524559
    • SCHEMBL30955336
    • SCHEMBL30955337
    • HMS2267F09
    • BDBM50352811
    • LMPK12120070
    • SMR001397064
    • XX178045
    • (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 265652-71-9

  • Applications

    Xanthoangelol F (CAS 265652-71-9) is a prenylated flavonoid that appears in natural product chemistry and related formulation research. In practical terms, it is commonly evaluated as a lead scaffold or intermediate in pharmaceutical discovery, enabling exploration of bioactive compounds; in cosmetics and personal care it may be used as an antioxidant ingredient to support formulation stability; in polymer science it may function as a natural antioxidant/stabilizer to improve durability of plastics and coatings; in academic and industrial chemistry it serves as a reference material or building block for synthetic route development and structure-activity investigations; in agrochemical research it may be investigated as a scaffold for plant-protection product discovery. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.69
    methanol 19.13
    isopropanol 10.56
    water 0.01
    ethyl acetate 35.2
    n-propanol 19.94
    acetone 29.31
    n-butanol 16.56
    acetonitrile 6.89
    DMF 28.13
    toluene 18.64
    isobutanol 10.41
    1,4-dioxane 67.68
    methyl acetate 31.24
    THF 274.47
    2-butanone 56.6
    n-pentanol 14.35
    sec-butanol 18.43
    n-hexane 0.58
    ethylene glycol 1.0
    NMP 32.25
    cyclohexane 0.91
    DMSO 77.46
    n-butyl acetate 13.38
    n-octanol 5.01
    chloroform 129.6
    n-propyl acetate 15.32
    acetic acid 24.01
    dichloromethane 105.05
    cyclohexanone 53.88
    propylene glycol 7.01
    isopropyl acetate 22.35
    DMAc 119.5
    2-ethoxyethanol 35.19
    isopentanol 12.75
    n-heptane 0.52
    ethyl formate 8.9
    1,2-dichloroethane 54.62
    n-hexanol 9.94
    2-methoxyethanol 48.94
    isobutyl acetate 10.86
    tetrachloromethane 5.99
    n-pentyl acetate 13.01
    transcutol 177.82
    n-heptanol 6.8
    ethylbenzene 6.88
    MIBK 20.42
    2-propoxyethanol 40.63
    tert-butanol 17.06
    MTBE 28.88
    2-butoxyethanol 24.68
    propionic acid 17.23
    o-xylene 7.84
    formic acid 5.47
    diethyl ether 25.26
    m-xylene 7.99
    p-xylene 7.62
    chlorobenzene 19.2
    dimethyl carbonate 16.08
    n-octane 0.27
    formamide 11.21
    cyclopentanone 68.15
    2-pentanone 32.59
    anisole 28.06
    cyclopentyl methyl ether 39.37
    gamma-butyrolactone 53.69
    1-methoxy-2-propanol 50.19
    pyridine 56.16
    3-pentanone 33.0
    furfural 35.3
    n-dodecane 0.27
    diethylene glycol 14.5
    diisopropyl ether 4.69
    tert-amyl alcohol 22.25
    acetylacetone 44.06
    n-hexadecane 0.32
    acetophenone 23.08
    methyl propionate 32.17
    isopentyl acetate 16.29
    trichloroethylene 137.41
    n-nonanol 6.15
    cyclohexanol 14.82
    benzyl alcohol 18.22
    2-ethylhexanol 6.43
    isooctanol 6.52
    dipropyl ether 12.79
    1,2-dichlorobenzene 18.24
    ethyl lactate 10.95
    propylene carbonate 19.7
    n-methylformamide 12.09
    2-pentanol 10.35
    n-pentane 0.46
    1-propoxy-2-propanol 29.14
    1-methoxy-2-propyl acetate 38.57
    2-(2-methoxypropoxy) propanol 36.71
    mesitylene 3.81
    ε-caprolactone 43.22
    p-cymene 3.54
    epichlorohydrin 135.86
    1,1,1-trichloroethane 35.49
    2-aminoethanol 5.74
    morpholine-4-carbaldehyde 47.17
    sulfolane 70.56
    2,2,4-trimethylpentane 0.7
    2-methyltetrahydrofuran 69.39
    n-hexyl acetate 15.37
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 44.44
    sec-butyl acetate 14.12
    tert-butyl acetate 31.09
    decalin 0.85
    glycerin 9.93
    diglyme 92.16
    acrylic acid 13.93
    isopropyl myristate 6.98
    n-butyric acid 24.97
    acetyl acetate 21.99
    di(2-ethylhexyl) phthalate 9.17
    ethyl propionate 17.61
    nitromethane 45.55
    1,2-diethoxyethane 41.12
    benzonitrile 10.61
    trioctyl phosphate 5.21
    1-bromopropane 22.39
    gamma-valerolactone 92.47
    n-decanol 4.08
    triethyl phosphate 10.64
    4-methyl-2-pentanol 6.77
    propionitrile 10.98
    vinylene carbonate 17.9
    1,1,2-trichlorotrifluoroethane 66.56
    DMS 18.23
    cumene 4.3
    2-octanol 4.03
    2-hexanone 21.18
    octyl acetate 8.4
    limonene 5.23
    1,2-dimethoxyethane 64.04
    ethyl orthosilicate 11.5
    tributyl phosphate 6.41
    diacetone alcohol 39.84
    N,N-dimethylaniline 15.91
    acrylonitrile 12.48
    aniline 21.52
    1,3-propanediol 12.24
    bromobenzene 20.27
    dibromomethane 48.7
    1,1,2,2-tetrachloroethane 112.37
    2-methyl-cyclohexyl acetate 16.07
    tetrabutyl urea 9.82
    diisobutyl methanol 5.12
    2-phenylethanol 16.3
    styrene 8.38
    dioctyl adipate 15.03
    dimethyl sulfate 28.17
    ethyl butyrate 14.24
    methyl lactate 16.77
    butyl lactate 13.29
    diethyl carbonate 10.13
    propanediol butyl ether 17.3
    triethyl orthoformate 16.81
    p-tert-butyltoluene 3.83
    methyl 4-tert-butylbenzoate 25.17
    morpholine 93.05
    tert-butylamine 6.77
    n-dodecanol 2.84
    dimethoxymethane 56.4
    ethylene carbonate 14.29
    cyrene 32.1
    2-ethoxyethyl acetate 30.07
    2-ethylhexyl acetate 11.86
    1,2,4-trichlorobenzene 30.31
    4-methylpyridine 32.99
    dibutyl ether 9.94
    2,6-dimethyl-4-heptanol 5.12
    DEF 30.98
    dimethyl isosorbide 66.35
    tetrachloroethylene 46.8
    eugenol 23.18
    triacetin 27.86
    span 80 24.76
    1,4-butanediol 3.84
    1,1-dichloroethane 38.79
    2-methyl-1-pentanol 15.45
    methyl formate 8.62
    2-methyl-1-butanol 14.59
    n-decane 0.53
    butyronitrile 9.95
    3,7-dimethyl-1-octanol 6.59
    1-chlorooctane 3.42
    1-chlorotetradecane 1.25
    n-nonane 0.41
    undecane 0.36
    tert-butylcyclohexane 0.84
    cyclooctane 0.36
    cyclopentanol 14.72
    tetrahydropyran 68.29
    tert-amyl methyl ether 23.43
    2,5,8-trioxanonane 64.47
    1-hexene 3.66
    2-isopropoxyethanol 24.5
    2,2,2-trifluoroethanol 5.22
    methyl butyrate 19.33

    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