Geraldone

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  • Identifiers

    CAS number
    21583-32-4

    Molecular formula
    C16H12O5

    SMILES
    COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 66.85%
    Sweet 52.3%
    Vanilla 50.45%
    Burnt 38.94%
    Spicy 36.22%
    Smoky 35.62%
    Balsamic 35.62%
    Creamy 33.64%
    Medicinal 32.92%
    Powdery 31.01%

     

    Flavor
    Bitter 91.58%
    Eugenol 20.43%
    Parsley 20.39%
    Curry 20.19%
    Sweet-like 20.12%
    Very strong 20.01%
    Lovage 19.94%
    Cedarleaf 19.74%
    Indole 19.63%
    Ham 19.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.92 (weak base)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    604°C

    Flash point

    • 210.9 ˚C est.

  • Synonyms

    • Geraldone
    • 5-Deoxychrysoeriol
    • 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
    • 7,4'-dihydroxy-3'-methoxyflavone
    • CHEBI:5326
    • 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
    • DTXSID00415155
    • RefChem:142969
    • DTXCID90366006
    • 21583-32-4
    • 4',7-dihydroxy-3'-methoxyflavone
    • C10047
    • SCHEMBL9663466
    • CHEMBL3330639
    • SCHEMBL29435862
    • SCHEMBL29929667
    • LMPK12110043
    • FG158998
    • Q23055238
    • 7-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
    • 21583-32-4

  • Applications

    Geraldone (CAS 21583-32-4) is used in several industrial contexts as a chemical intermediate and processing aid. In perfumery and cosmetics it may function as an odorant or fragrance component. In coatings and inks it can serve as a solvent or processing aid, contributing to film formation and substrate wetting. In polymers and plastics manufacture it may be used as a plasticizer or processing aid to modify viscosity or flexibility. It can also be evaluated for use in cleaning formulations as a solvent or formulation constituent, and more broadly in industrial manufacturing as an intermediate for organic synthesis. The exact role depends on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.59
    methanol 0.45
    isopropanol 1.16
    water 0.0
    ethyl acetate 1.05
    n-propanol 1.4
    acetone 1.44
    n-butanol 1.23
    acetonitrile 0.75
    DMF 14.25
    toluene 0.14
    isobutanol 0.98
    1,4-dioxane 7.75
    methyl acetate 2.11
    THF 34.8
    2-butanone 3.42
    n-pentanol 1.11
    sec-butanol 1.91
    n-hexane 0.01
    ethylene glycol 2.0
    NMP 6.63
    cyclohexane 0.01
    DMSO 75.05
    n-butyl acetate 1.24
    n-octanol 0.63
    chloroform 0.06
    n-propyl acetate 1.53
    acetic acid 2.82
    dichloromethane 0.13
    cyclohexanone 4.2
    propylene glycol 2.57
    isopropyl acetate 1.29
    DMAc 29.62
    2-ethoxyethanol 11.36
    isopentanol 1.51
    n-heptane 0.03
    ethyl formate 0.7
    1,2-dichloroethane 0.3
    n-hexanol 0.64
    2-methoxyethanol 19.65
    isobutyl acetate 1.09
    tetrachloromethane 0.01
    n-pentyl acetate 1.43
    transcutol 65.35
    n-heptanol 0.85
    ethylbenzene 0.16
    MIBK 1.68
    2-propoxyethanol 10.78
    tert-butanol 2.63
    MTBE 1.51
    2-butoxyethanol 5.79
    propionic acid 2.02
    o-xylene 0.19
    formic acid 2.14
    diethyl ether 0.71
    m-xylene 0.14
    p-xylene 0.25
    chlorobenzene 0.14
    dimethyl carbonate 2.23
    n-octane 0.02
    formamide 6.27
    cyclopentanone 8.36
    2-pentanone 1.63
    anisole 1.8
    cyclopentyl methyl ether 2.61
    gamma-butyrolactone 9.87
    1-methoxy-2-propanol 15.07
    pyridine 3.53
    3-pentanone 1.31
    furfural 8.14
    n-dodecane 0.03
    diethylene glycol 13.58
    diisopropyl ether 0.26
    tert-amyl alcohol 2.6
    acetylacetone 4.32
    n-hexadecane 0.04
    acetophenone 2.29
    methyl propionate 2.05
    isopentyl acetate 1.94
    trichloroethylene 0.66
    n-nonanol 0.86
    cyclohexanol 1.32
    benzyl alcohol 2.07
    2-ethylhexanol 0.79
    isooctanol 0.97
    dipropyl ether 1.68
    1,2-dichlorobenzene 0.23
    ethyl lactate 2.55
    propylene carbonate 2.1
    n-methylformamide 3.56
    2-pentanol 1.01
    n-pentane 0.0
    1-propoxy-2-propanol 7.5
    1-methoxy-2-propyl acetate 5.48
    2-(2-methoxypropoxy) propanol 11.49
    mesitylene 0.12
    ε-caprolactone 4.36
    p-cymene 0.32
    epichlorohydrin 15.42
    1,1,1-trichloroethane 0.09
    2-aminoethanol 2.93
    morpholine-4-carbaldehyde 21.19
    sulfolane 22.26
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.3
    n-hexyl acetate 1.74
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 14.68
    sec-butyl acetate 1.31
    tert-butyl acetate 2.63
    decalin 0.02
    glycerin 10.82
    diglyme 31.89
    acrylic acid 2.52
    isopropyl myristate 1.24
    n-butyric acid 1.75
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 1.72
    ethyl propionate 1.62
    nitromethane 8.94
    1,2-diethoxyethane 8.88
    benzonitrile 1.06
    trioctyl phosphate 1.04
    1-bromopropane 0.11
    gamma-valerolactone 21.31
    n-decanol 0.71
    triethyl phosphate 2.02
    4-methyl-2-pentanol 0.8
    propionitrile 0.97
    vinylene carbonate 1.97
    1,1,2-trichlorotrifluoroethane 10.94
    DMS 3.25
    cumene 0.17
    2-octanol 0.55
    2-hexanone 2.05
    octyl acetate 1.34
    limonene 0.38
    1,2-dimethoxyethane 22.36
    ethyl orthosilicate 1.94
    tributyl phosphate 1.41
    diacetone alcohol 7.83
    N,N-dimethylaniline 1.48
    acrylonitrile 1.96
    aniline 1.05
    1,3-propanediol 5.36
    bromobenzene 0.09
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.75
    2-methyl-cyclohexyl acetate 2.16
    tetrabutyl urea 2.39
    diisobutyl methanol 0.97
    2-phenylethanol 1.79
    styrene 0.17
    dioctyl adipate 2.67
    dimethyl sulfate 6.75
    ethyl butyrate 1.73
    methyl lactate 4.54
    butyl lactate 2.54
    diethyl carbonate 1.46
    propanediol butyl ether 5.12
    triethyl orthoformate 2.87
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 4.22
    morpholine 14.62
    tert-butylamine 0.63
    n-dodecanol 0.59
    dimethoxymethane 11.59
    ethylene carbonate 1.4
    cyrene 9.06
    2-ethoxyethyl acetate 4.74
    2-ethylhexyl acetate 1.34
    1,2,4-trichlorobenzene 0.52
    4-methylpyridine 1.75
    dibutyl ether 1.8
    2,6-dimethyl-4-heptanol 0.97
    DEF 4.04
    dimethyl isosorbide 17.87
    tetrachloroethylene 0.3
    eugenol 5.27
    triacetin 5.3
    span 80 5.79
    1,4-butanediol 1.8
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 1.5
    methyl formate 2.25
    2-methyl-1-butanol 1.42
    n-decane 0.05
    butyronitrile 0.66
    3,7-dimethyl-1-octanol 1.0
    1-chlorooctane 0.23
    1-chlorotetradecane 0.16
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 1.99
    tetrahydropyran 2.74
    tert-amyl methyl ether 1.75
    2,5,8-trioxanonane 23.74
    1-hexene 0.05
    2-isopropoxyethanol 7.22
    2,2,2-trifluoroethanol 1.35
    methyl butyrate 1.98

    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