Eriodictyol chalcone

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  • Identifiers

    CAS number
    14917-41-0

    Molecular formula
    C15H12O6

    SMILES
    C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.24%
    Phenolic 44.28%
    Burnt 30.7%
    Spicy 28.0%
    Balsamic 23.93%
    Savory 22.91%
    Bitter 21.4%
    Smoky 20.59%
    Vanilla 19.12%
    Medicinal 18.82%

     

    Flavor
    Bitter 93.36%
    Odorless 36.07%
    Bland 23.43%
    Sweet-like 21.28%
    Mild 21.13%
    Nitrile 21.0%
    Cedarleaf 20.57%
    Very strong 20.05%
    Lovage 19.89%
    Indole 19.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    10.7 (weak base)

    Molecular weight
    288.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    571°C

    Flash point

    • 256.45 ˚C est.

  • Synonyms

    • Eriodictyol chalcone
    • 14917-41-0
    • DTXSID201343534
    • RefChem:1084226
    • DTXCID701772366
    • (E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
    • 2',3,4,4',6'-Pentahydroxychalcone
    • 2',4',6',3,4-Pentahydroxychalcone
    • 73692-51-0
    • 3,4,2',4',6'-Pentahydroxychalcone
    • Eriodictyolchalcone
    • MDQ6NJ9LSN
    • CHEMBL127409
    • 3,4,2',4',6-Pentahydroxychalcone
    • MFCD00017302
    • 2',3,4,4',6'-Penta-hydroxychalcone
    • (2E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
    • 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, (2E)-
    • (2E)-3-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one
    • 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
    • 3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
    • EINECS 277-569-9
    • UNII-MDQ6NJ9LSN
    • SCHEMBL159248
    • orb1682638
    • SCHEMBL29773083
    • CHEBI:10836
    • CHEBI:48967
    • GTPL12443
    • HY-N9551
    • BDBM50042994
    • LMPK12120271
    • AKOS024465134
    • FP65728
    • FP145714
    • trans-2',3,4,4',6'-pentahydroxychalcone
    • CS-0201229
    • NS00059430
    • ST50331415
    • PENTAHYDROXYCHALCONE,2,4,6,3,4-(SH)
    • trans-2'',3,4,4'',6''-pentahydroxychalcone
    • Q27108675
    • 14917-41-0

  • Applications

    Eriodictyol chalcone (CAS 14917-41-0) is a chalcone derivative of eriodictyol used primarily as a synthetic intermediate in organic synthesis to access flavonoid and phenolic compounds for pharmaceutical research and structure–activity relationship (SAR) studies. It also serves as a building block for bioactive chalcone motifs in agrochemical development and related exploratory research. In the materials arena, it can be considered a component for coatings, inks, and polymer matrices, potentially contributing UV-absorbing or crosslinking functionalities. In cosmetics and personal care, it may be evaluated as a fragrance precursor or antioxidant intermediate. Additionally, it is commonly used in academic and industrial research as a versatile starting material for the synthesis of new polyphenolic derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.99
    methanol 119.75
    isopropanol 98.59
    water 0.03
    ethyl acetate 59.27
    n-propanol 100.74
    acetone 113.85
    n-butanol 83.66
    acetonitrile 21.36
    DMF 277.36
    toluene 0.66
    isobutanol 37.79
    1,4-dioxane 32.54
    methyl acetate 40.63
    THF 791.95
    2-butanone 123.87
    n-pentanol 35.82
    sec-butanol 75.65
    n-hexane 0.14
    ethylene glycol 55.33
    NMP 115.51
    cyclohexane 0.05
    DMSO 2176.23
    n-butyl acetate 16.37
    n-octanol 6.21
    chloroform 0.1
    n-propyl acetate 20.43
    acetic acid 40.93
    dichloromethane 0.06
    cyclohexanone 42.64
    propylene glycol 112.6
    isopropyl acetate 38.0
    DMAc 268.9
    2-ethoxyethanol 171.43
    isopentanol 47.88
    n-heptane 0.22
    ethyl formate 25.11
    1,2-dichloroethane 0.54
    n-hexanol 20.78
    2-methoxyethanol 495.77
    isobutyl acetate 5.55
    tetrachloromethane 0.07
    n-pentyl acetate 7.55
    transcutol 135.92
    n-heptanol 8.54
    ethylbenzene 0.63
    MIBK 42.58
    2-propoxyethanol 149.47
    tert-butanol 98.4
    MTBE 23.87
    2-butoxyethanol 36.42
    propionic acid 37.72
    o-xylene 0.72
    formic acid 38.76
    diethyl ether 26.55
    m-xylene 0.85
    p-xylene 0.5
    chlorobenzene 0.22
    dimethyl carbonate 31.13
    n-octane 0.09
    formamide 117.66
    cyclopentanone 179.22
    2-pentanone 109.93
    anisole 6.53
    cyclopentyl methyl ether 46.19
    gamma-butyrolactone 146.97
    1-methoxy-2-propanol 478.4
    pyridine 8.71
    3-pentanone 39.4
    furfural 39.17
    n-dodecane 0.13
    diethylene glycol 142.03
    diisopropyl ether 4.3
    tert-amyl alcohol 63.93
    acetylacetone 101.42
    n-hexadecane 0.15
    acetophenone 8.91
    methyl propionate 74.57
    isopentyl acetate 12.36
    trichloroethylene 0.91
    n-nonanol 6.65
    cyclohexanol 19.9
    benzyl alcohol 8.38
    2-ethylhexanol 7.41
    isooctanol 6.17
    dipropyl ether 15.41
    1,2-dichlorobenzene 0.29
    ethyl lactate 32.72
    propylene carbonate 26.86
    n-methylformamide 149.49
    2-pentanol 48.95
    n-pentane 0.16
    1-propoxy-2-propanol 92.25
    1-methoxy-2-propyl acetate 50.35
    2-(2-methoxypropoxy) propanol 43.16
    mesitylene 0.6
    ε-caprolactone 40.5
    p-cymene 0.77
    epichlorohydrin 95.27
    1,1,1-trichloroethane 0.37
    2-aminoethanol 120.79
    morpholine-4-carbaldehyde 94.76
    sulfolane 300.65
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 91.0
    n-hexyl acetate 10.63
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 60.17
    sec-butyl acetate 13.62
    tert-butyl acetate 39.29
    decalin 0.1
    glycerin 208.03
    diglyme 84.82
    acrylic acid 27.54
    isopropyl myristate 5.74
    n-butyric acid 55.91
    acetyl acetate 13.74
    di(2-ethylhexyl) phthalate 5.07
    ethyl propionate 29.08
    nitromethane 148.06
    1,2-diethoxyethane 23.1
    benzonitrile 2.9
    trioctyl phosphate 5.24
    1-bromopropane 0.73
    gamma-valerolactone 160.51
    n-decanol 5.23
    triethyl phosphate 9.01
    4-methyl-2-pentanol 19.5
    propionitrile 24.4
    vinylene carbonate 12.18
    1,1,2-trichlorotrifluoroethane 57.47
    DMS 11.35
    cumene 0.47
    2-octanol 4.93
    2-hexanone 31.41
    octyl acetate 7.4
    limonene 1.57
    1,2-dimethoxyethane 149.53
    ethyl orthosilicate 7.99
    tributyl phosphate 5.95
    diacetone alcohol 127.62
    N,N-dimethylaniline 4.72
    acrylonitrile 28.19
    aniline 3.97
    1,3-propanediol 188.78
    bromobenzene 0.12
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 1.59
    2-methyl-cyclohexyl acetate 8.81
    tetrabutyl urea 10.62
    diisobutyl methanol 6.92
    2-phenylethanol 9.26
    styrene 0.48
    dioctyl adipate 9.4
    dimethyl sulfate 58.67
    ethyl butyrate 18.54
    methyl lactate 98.58
    butyl lactate 16.43
    diethyl carbonate 8.83
    propanediol butyl ether 36.03
    triethyl orthoformate 13.83
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 14.88
    morpholine 118.25
    tert-butylamine 15.74
    n-dodecanol 3.77
    dimethoxymethane 243.55
    ethylene carbonate 12.24
    cyrene 47.23
    2-ethoxyethyl acetate 15.24
    2-ethylhexyl acetate 7.04
    1,2,4-trichlorobenzene 0.52
    4-methylpyridine 7.55
    dibutyl ether 6.58
    2,6-dimethyl-4-heptanol 6.92
    DEF 76.93
    dimethyl isosorbide 72.67
    tetrachloroethylene 0.72
    eugenol 16.45
    triacetin 14.87
    span 80 23.84
    1,4-butanediol 38.24
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 20.17
    methyl formate 69.36
    2-methyl-1-butanol 40.91
    n-decane 0.21
    butyronitrile 24.41
    3,7-dimethyl-1-octanol 6.93
    1-chlorooctane 1.04
    1-chlorotetradecane 0.47
    n-nonane 0.16
    undecane 0.17
    tert-butylcyclohexane 0.12
    cyclooctane 0.06
    cyclopentanol 48.02
    tetrahydropyran 29.85
    tert-amyl methyl ether 23.94
    2,5,8-trioxanonane 65.77
    1-hexene 0.97
    2-isopropoxyethanol 70.44
    2,2,2-trifluoroethanol 10.85
    methyl butyrate 33.88

    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