Xanthoangelol H

Overview IFRA Request a quote

  • Identifiers

    CAS number
    265652-89-9

    Molecular formula
    C21H22O5

    SMILES
    CC1(C(CC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 65.93%
    Vanilla 51.93%
    Floral 39.36%
    Spicy 38.41%
    Balsamic 37.8%
    Powdery 37.42%
    Creamy 33.78%
    Phenolic 30.75%
    Woody 25.56%
    Aromatic 24.82%

     

    Flavor
    Bitter 88.64%
    Odorless 24.14%
    Bland 20.79%
    Parsley 19.58%
    Lovage 19.43%
    Sweet-like 19.06%
    Cedarleaf 18.87%
    Ethyl benzoate 18.71%
    Broom 18.62%
    Heather 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.42 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    942°C

    Flash point

    • 208.21 ˚C est.

  • Synonyms

    • Xanthoangelol H
    • 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone
    • 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano(2'',3'':2',3')-4'-hydroxy-4'-methoxychalcone
    • RefChem:195119
    • (E)-1-(3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 265652-89-9
    • MLS002472957
    • CHEMBL1733408
    • SCHEMBL14523845
    • HMS2270B22
    • LMPK12120095
    • SMR001397065
    • (E)-1-(3-hydroxy-5-methoxy-2,2-dimethyl-chroman-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 2-Propen-1-one, 1-(3,4-dihydro-3-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(4-hydroxyphenyl)-, (2E)-
    • 265652-89-9

  • Applications

    Xanthoangelol H (CAS 265652-89-9) is a prenylated flavonoid under study for a range of practical applications; potential uses include as an antioxidant additive and stabilizer in cosmetics and personal care, as well as a stabilizer or antioxidant in coatings and inks, and as an antioxidant or stabilizing component in polymers and plastics; it is also considered a bioactive compound in agricultural research and a synthetic intermediate for accessing other flavonoids in chemical manufacturing; in pharmaceutical research, Xanthoangelol H is evaluated as a potential lead compound for drug discovery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.26
    methanol 34.88
    isopropanol 15.6
    water 0.07
    ethyl acetate 45.71
    n-propanol 18.56
    acetone 78.24
    n-butanol 14.28
    acetonitrile 41.07
    DMF 91.01
    toluene 11.98
    isobutanol 11.18
    1,4-dioxane 166.85
    methyl acetate 61.06
    THF 414.73
    2-butanone 59.32
    n-pentanol 12.07
    sec-butanol 12.55
    n-hexane 0.17
    ethylene glycol 8.52
    NMP 41.92
    cyclohexane 0.78
    DMSO 269.53
    n-butyl acetate 14.14
    n-octanol 9.55
    chloroform 139.75
    n-propyl acetate 22.21
    acetic acid 75.47
    dichloromethane 117.68
    cyclohexanone 69.99
    propylene glycol 13.35
    isopropyl acetate 26.56
    DMAc 176.22
    2-ethoxyethanol 72.01
    isopentanol 12.77
    n-heptane 0.46
    ethyl formate 24.88
    1,2-dichloroethane 64.16
    n-hexanol 8.36
    2-methoxyethanol 108.28
    isobutyl acetate 15.18
    tetrachloromethane 4.9
    n-pentyl acetate 15.21
    transcutol 177.81
    n-heptanol 9.19
    ethylbenzene 6.0
    MIBK 23.7
    2-propoxyethanol 63.8
    tert-butanol 24.75
    MTBE 18.81
    2-butoxyethanol 34.07
    propionic acid 27.71
    o-xylene 7.29
    formic acid 29.53
    diethyl ether 19.73
    m-xylene 6.31
    p-xylene 8.52
    chlorobenzene 21.93
    dimethyl carbonate 48.03
    n-octane 0.38
    formamide 65.12
    cyclopentanone 107.02
    2-pentanone 33.62
    anisole 36.91
    cyclopentyl methyl ether 40.66
    gamma-butyrolactone 107.16
    1-methoxy-2-propanol 66.44
    pyridine 80.67
    3-pentanone 31.07
    furfural 81.48
    n-dodecane 0.56
    diethylene glycol 55.23
    diisopropyl ether 4.96
    tert-amyl alcohol 15.48
    acetylacetone 75.16
    n-hexadecane 0.66
    acetophenone 32.84
    methyl propionate 46.2
    isopentyl acetate 17.74
    trichloroethylene 174.15
    n-nonanol 11.06
    cyclohexanol 15.15
    benzyl alcohol 27.9
    2-ethylhexanol 6.83
    isooctanol 9.2
    dipropyl ether 13.7
    1,2-dichlorobenzene 23.22
    ethyl lactate 18.72
    propylene carbonate 35.49
    n-methylformamide 44.86
    2-pentanol 8.09
    n-pentane 0.18
    1-propoxy-2-propanol 34.62
    1-methoxy-2-propyl acetate 39.38
    2-(2-methoxypropoxy) propanol 45.59
    mesitylene 4.32
    ε-caprolactone 47.86
    p-cymene 4.75
    epichlorohydrin 210.85
    1,1,1-trichloroethane 35.05
    2-aminoethanol 16.51
    morpholine-4-carbaldehyde 119.94
    sulfolane 113.74
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 68.16
    n-hexyl acetate 21.82
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 60.06
    sec-butyl acetate 16.25
    tert-butyl acetate 32.94
    decalin 0.74
    glycerin 30.04
    diglyme 135.92
    acrylic acid 31.07
    isopropyl myristate 11.63
    n-butyric acid 31.55
    acetyl acetate 47.15
    di(2-ethylhexyl) phthalate 15.41
    ethyl propionate 25.59
    nitromethane 198.61
    1,2-diethoxyethane 46.29
    benzonitrile 24.66
    trioctyl phosphate 9.66
    1-bromopropane 13.48
    gamma-valerolactone 144.65
    n-decanol 8.32
    triethyl phosphate 15.2
    4-methyl-2-pentanol 6.73
    propionitrile 28.9
    vinylene carbonate 43.22
    1,1,2-trichlorotrifluoroethane 97.58
    DMS 33.05
    cumene 4.16
    2-octanol 5.88
    2-hexanone 24.56
    octyl acetate 14.39
    limonene 5.59
    1,2-dimethoxyethane 143.54
    ethyl orthosilicate 14.79
    tributyl phosphate 11.24
    diacetone alcohol 44.46
    N,N-dimethylaniline 20.53
    acrylonitrile 46.48
    aniline 23.89
    1,3-propanediol 29.62
    bromobenzene 21.57
    dibromomethane 45.71
    1,1,2,2-tetrachloroethane 113.58
    2-methyl-cyclohexyl acetate 19.49
    tetrabutyl urea 17.13
    diisobutyl methanol 6.42
    2-phenylethanol 23.04
    styrene 8.69
    dioctyl adipate 21.99
    dimethyl sulfate 64.7
    ethyl butyrate 16.22
    methyl lactate 30.88
    butyl lactate 15.84
    diethyl carbonate 15.42
    propanediol butyl ether 27.86
    triethyl orthoformate 19.27
    p-tert-butyltoluene 4.78
    methyl 4-tert-butylbenzoate 32.9
    morpholine 150.47
    tert-butylamine 7.11
    n-dodecanol 6.23
    dimethoxymethane 134.19
    ethylene carbonate 37.34
    cyrene 48.67
    2-ethoxyethyl acetate 35.95
    2-ethylhexyl acetate 13.06
    1,2,4-trichlorobenzene 32.98
    4-methylpyridine 43.24
    dibutyl ether 13.64
    2,6-dimethyl-4-heptanol 6.42
    DEF 39.41
    dimethyl isosorbide 80.12
    tetrachloroethylene 55.86
    eugenol 32.9
    triacetin 42.4
    span 80 29.42
    1,4-butanediol 12.1
    1,1-dichloroethane 41.8
    2-methyl-1-pentanol 11.27
    methyl formate 48.72
    2-methyl-1-butanol 11.01
    n-decane 0.94
    butyronitrile 18.44
    3,7-dimethyl-1-octanol 10.56
    1-chlorooctane 5.02
    1-chlorotetradecane 2.36
    n-nonane 0.7
    undecane 0.69
    tert-butylcyclohexane 0.61
    cyclooctane 0.34
    cyclopentanol 23.49
    tetrahydropyran 76.39
    tert-amyl methyl ether 14.43
    2,5,8-trioxanonane 101.21
    1-hexene 1.19
    2-isopropoxyethanol 41.08
    2,2,2-trifluoroethanol 24.41
    methyl butyrate 29.06

    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