Atalantoflavone

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  • Identifiers

    CAS number
    119309-02-3

    Molecular formula
    C20H16O5

    SMILES
    CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.85%
    Sweet 34.6%
    Spicy 31.54%
    Odorless 27.76%
    Fruity 27.05%
    Medicinal 26.89%
    Animal 26.1%
    Burnt 24.51%
    Vanilla 23.53%
    Powdery 23.51%

     

    Flavor
    Bitter 95.2%
    Cedarleaf 19.91%
    Lovage 19.6%
    Parsley 19.6%
    Very strong 19.17%
    Ripe apricot 19.09%
    Indole 19.04%
    Red fruit 18.83%
    Sweet-like 18.55%
    Nitrile 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.04 (weak base)

    Molecular weight
    336.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    933°C

    Melting point expt.

    • 289 - 290 °C

    Flash point

    • 244.16 ˚C est.

  • Synonyms

    • atalantoflavone
    • 119309-02-3
    • Limonianin
    • 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
    • 5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI
    • 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano(2,3-h)chromen-4-one
    • 5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 9ci
    • RefChem:115400
    • 5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
    • starbld0000825
    • X9PW4WPE82
    • CHEMBL465808
    • orb1683110
    • SCHEMBL31376172
    • SCHEMBL31376217
    • CHEBI:175275
    • DTXSID701316885
    • HY-N2906
    • UEA30902
    • LMPK12110420
    • AKOS040761385
    • FS-9509
    • 5-HYDROXY-2-(4-HYDROXYPHENYL)-8,8-DIMETHYL-4H,8H-PYRANO[2,3-F]CHROMEN-4-ONE
    • CS-0023501
    • F93998
    • 5,4'-Dihydroxy-7,8-(2,2-dimethylpyrano)flavone
    • 2-(4-hydroxyphenyl)-8,8-dimethyl-5-oxidanyl-pyrano(2,3-h)chromen-4-one
    • 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
    • 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-
    • 119309-02-3

  • Applications

    Atalantoflavone (CAS 119309-02-3) is a flavonoid-like compound that is studied and used as an organic-synthesis intermediate, an analytical reference standard, and is considered for antioxidant roles in cosmetic and personal-care formulations. It is also evaluated as a lead or intermediate in pharmaceutical research and may be used as a stabilizer/antioxidant additive for polymers/plastics and as a functional additive in coatings and inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.44
    methanol 5.07
    isopropanol 3.73
    water 0.03
    ethyl acetate 12.16
    n-propanol 4.88
    acetone 23.85
    n-butanol 3.66
    acetonitrile 16.53
    DMF 158.4
    toluene 1.52
    isobutanol 4.37
    1,4-dioxane 41.9
    methyl acetate 25.42
    THF 100.54
    2-butanone 23.14
    n-pentanol 3.77
    sec-butanol 3.31
    n-hexane 0.03
    ethylene glycol 18.19
    NMP 139.69
    cyclohexane 0.07
    DMSO 369.08
    n-butyl acetate 14.09
    n-octanol 3.77
    chloroform 9.35
    n-propyl acetate 14.88
    acetic acid 42.18
    dichloromethane 9.44
    cyclohexanone 33.35
    propylene glycol 25.25
    isopropyl acetate 10.74
    DMAc 195.51
    2-ethoxyethanol 37.54
    isopentanol 4.82
    n-heptane 0.07
    ethyl formate 12.75
    1,2-dichloroethane 8.44
    n-hexanol 2.57
    2-methoxyethanol 87.8
    isobutyl acetate 12.35
    tetrachloromethane 0.56
    n-pentyl acetate 10.63
    transcutol 318.43
    n-heptanol 3.4
    ethylbenzene 0.9
    MIBK 11.13
    2-propoxyethanol 55.55
    tert-butanol 6.26
    MTBE 3.82
    2-butoxyethanol 26.22
    propionic acid 21.53
    o-xylene 1.23
    formic acid 22.29
    diethyl ether 2.47
    m-xylene 1.42
    p-xylene 1.7
    chlorobenzene 3.74
    dimethyl carbonate 33.69
    n-octane 0.05
    formamide 42.32
    cyclopentanone 76.03
    2-pentanone 11.75
    anisole 9.48
    cyclopentyl methyl ether 13.63
    gamma-butyrolactone 116.97
    1-methoxy-2-propanol 69.19
    pyridine 22.52
    3-pentanone 9.94
    furfural 75.11
    n-dodecane 0.15
    diethylene glycol 78.52
    diisopropyl ether 1.18
    tert-amyl alcohol 4.49
    acetylacetone 39.13
    n-hexadecane 0.18
    acetophenone 16.86
    methyl propionate 23.31
    isopentyl acetate 15.72
    trichloroethylene 29.38
    n-nonanol 4.48
    cyclohexanol 5.16
    benzyl alcohol 12.27
    2-ethylhexanol 2.9
    isooctanol 3.6
    dipropyl ether 4.78
    1,2-dichlorobenzene 4.93
    ethyl lactate 23.02
    propylene carbonate 42.24
    n-methylformamide 50.19
    2-pentanol 2.2
    n-pentane 0.03
    1-propoxy-2-propanol 37.53
    1-methoxy-2-propyl acetate 45.95
    2-(2-methoxypropoxy) propanol 54.56
    mesitylene 0.94
    ε-caprolactone 40.13
    p-cymene 1.67
    epichlorohydrin 107.64
    1,1,1-trichloroethane 5.72
    2-aminoethanol 17.17
    morpholine-4-carbaldehyde 173.82
    sulfolane 185.22
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 21.8
    n-hexyl acetate 14.68
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 71.87
    sec-butyl acetate 10.26
    tert-butyl acetate 14.41
    decalin 0.14
    glycerin 72.99
    diglyme 125.23
    acrylic acid 33.0
    isopropyl myristate 7.43
    n-butyric acid 17.6
    acetyl acetate 15.64
    di(2-ethylhexyl) phthalate 12.34
    ethyl propionate 13.74
    nitromethane 133.24
    1,2-diethoxyethane 34.92
    benzonitrile 13.66
    trioctyl phosphate 7.71
    1-bromopropane 1.45
    gamma-valerolactone 160.01
    n-decanol 3.56
    triethyl phosphate 12.26
    4-methyl-2-pentanol 2.62
    propionitrile 10.5
    vinylene carbonate 39.59
    1,1,2-trichlorotrifluoroethane 106.23
    DMS 37.5
    cumene 0.91
    2-octanol 2.19
    2-hexanone 12.04
    octyl acetate 9.8
    limonene 1.88
    1,2-dimethoxyethane 63.28
    ethyl orthosilicate 10.05
    tributyl phosphate 10.45
    diacetone alcohol 33.4
    N,N-dimethylaniline 6.77
    acrylonitrile 23.88
    aniline 7.49
    1,3-propanediol 22.31
    bromobenzene 3.09
    dibromomethane 3.16
    1,1,2,2-tetrachloroethane 26.42
    2-methyl-cyclohexyl acetate 14.32
    tetrabutyl urea 16.2
    diisobutyl methanol 3.0
    2-phenylethanol 12.04
    styrene 1.27
    dioctyl adipate 17.38
    dimethyl sulfate 78.32
    ethyl butyrate 13.81
    methyl lactate 51.21
    butyl lactate 20.46
    diethyl carbonate 12.52
    propanediol butyl ether 37.03
    triethyl orthoformate 15.22
    p-tert-butyltoluene 1.62
    methyl 4-tert-butylbenzoate 22.99
    morpholine 58.59
    tert-butylamine 1.6
    n-dodecanol 2.79
    dimethoxymethane 68.62
    ethylene carbonate 29.35
    cyrene 51.32
    2-ethoxyethyl acetate 33.69
    2-ethylhexyl acetate 11.3
    1,2,4-trichlorobenzene 11.19
    4-methylpyridine 18.33
    dibutyl ether 5.91
    2,6-dimethyl-4-heptanol 3.0
    DEF 27.13
    dimethyl isosorbide 93.87
    tetrachloroethylene 8.32
    eugenol 26.04
    triacetin 39.82
    span 80 29.23
    1,4-butanediol 9.19
    1,1-dichloroethane 4.89
    2-methyl-1-pentanol 4.24
    methyl formate 47.26
    2-methyl-1-butanol 4.17
    n-decane 0.18
    butyronitrile 6.42
    3,7-dimethyl-1-octanol 5.05
    1-chlorooctane 1.23
    1-chlorotetradecane 0.8
    n-nonane 0.11
    undecane 0.16
    tert-butylcyclohexane 0.12
    cyclooctane 0.04
    cyclopentanol 9.71
    tetrahydropyran 11.57
    tert-amyl methyl ether 3.75
    2,5,8-trioxanonane 97.42
    1-hexene 0.22
    2-isopropoxyethanol 24.56
    2,2,2-trifluoroethanol 17.5
    methyl butyrate 18.13

    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