5,7-Dihydroxychromone

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  • Identifiers

    CAS number
    31721-94-5

    Molecular formula
    C9H6O4

    SMILES
    C1=COC2=CC(=CC(=C2C1=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.4%
    Phenolic 45.63%
    Burnt 34.34%
    Nutty 24.2%
    Caramellic 20.37%
    Bitter 20.27%
    Medicinal 19.38%
    Savory 18.66%
    Creamy 18.27%
    Musty 17.5%

     

    Flavor
    Bitter 84.22%
    Odorless 24.25%
    Mild 21.81%
    Very strong 21.05%
    Indole 20.93%
    Nitrile 20.73%
    Rotten 20.6%
    Cedarleaf 20.59%
    Bread crust 20.45%
    Formyl 20.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.55 (neutral)

    Molecular weight
    178.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    409°C

    Melting point expt.

    • 272 - 273 °C

    Flash point

    • 176.47 ˚C est.

  • Synonyms

    • 5,7-Dihydroxychromone
    • 31721-94-5
    • 5,7-dihydroxychromen-4-one
    • DTXSID30185617
    • RefChem:913005
    • DTXCID70108108
    • 5,7-Dihydroxy-4H-chromen-4-one
    • 5,7-Dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-
    • CHEMBL3604316
    • 5,7-Dihydroxy-4-chromone
    • MFCD14583153
    • C09001
    • CHEBI:2007
    • orb1301275
    • SCHEMBL1860859
    • SCHEMBL29372700
    • HY-N1970R
    • 5,7-Dihydroxychromone (Standard)
    • HY-N1970
    • 5,7-dihydroxy-4H-benzopyran-4-one
    • BDBM50115096
    • AKOS015999181
    • AC-6025
    • EBC-615472
    • DA-49789
    • FD155626
    • MS-22951
    • CS-0018290
    • F17673
    • F814568
    • Q27105540
    • B7S
    • 31721-94-5

  • Applications

    5,7-Dihydroxychromone (CAS 31721-94-5) may serve as an intermediate and building block in organic synthesis, with potential use in pharmaceutical and fine chemical applications; it is commonly employed as a versatile precursor for polyphenolic derivatives and chromone-based dyes or pigment precursors for coatings and inks. It is also explored as a scaffold for functional materials in polymers and electronics, including potential use in optoelectronic applications. In cosmetics and personal care, it is sometimes evaluated as a polyphenol-like scaffold for formulation studies. Overall, applications depend on formulation goals and regulatory constraints, and use should be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.36
    methanol 45.31
    isopropanol 18.74
    water 1.64
    ethyl acetate 23.5
    n-propanol 18.52
    acetone 72.54
    n-butanol 17.41
    acetonitrile 44.53
    DMF 386.16
    toluene 0.96
    isobutanol 15.07
    1,4-dioxane 34.44
    methyl acetate 32.71
    THF 113.86
    2-butanone 36.92
    n-pentanol 18.1
    sec-butanol 12.01
    n-hexane 0.31
    ethylene glycol 45.01
    NMP 198.51
    cyclohexane 0.12
    DMSO 672.33
    n-butyl acetate 19.37
    n-octanol 11.81
    chloroform 0.81
    n-propyl acetate 24.36
    acetic acid 43.87
    dichloromethane 2.93
    cyclohexanone 39.04
    propylene glycol 33.79
    isopropyl acetate 15.95
    DMAc 198.38
    2-ethoxyethanol 79.3
    isopentanol 17.49
    n-heptane 0.82
    ethyl formate 35.73
    1,2-dichloroethane 5.1
    n-hexanol 14.52
    2-methoxyethanol 157.26
    isobutyl acetate 13.07
    tetrachloromethane 0.34
    n-pentyl acetate 13.41
    transcutol 113.04
    n-heptanol 10.05
    ethylbenzene 1.34
    MIBK 22.5
    2-propoxyethanol 80.69
    tert-butanol 23.62
    MTBE 7.92
    2-butoxyethanol 35.2
    propionic acid 28.44
    o-xylene 1.64
    formic acid 45.7
    diethyl ether 6.9
    m-xylene 1.98
    p-xylene 1.97
    chlorobenzene 1.58
    dimethyl carbonate 36.77
    n-octane 0.35
    formamide 99.58
    cyclopentanone 89.98
    2-pentanone 34.74
    anisole 9.52
    cyclopentyl methyl ether 23.76
    gamma-butyrolactone 133.47
    1-methoxy-2-propanol 112.47
    pyridine 10.42
    3-pentanone 17.48
    furfural 88.05
    n-dodecane 0.51
    diethylene glycol 124.88
    diisopropyl ether 2.77
    tert-amyl alcohol 14.07
    acetylacetone 63.53
    n-hexadecane 0.59
    acetophenone 17.37
    methyl propionate 36.25
    isopentyl acetate 15.57
    trichloroethylene 5.92
    n-nonanol 11.28
    cyclohexanol 10.7
    benzyl alcohol 14.66
    2-ethylhexanol 9.59
    isooctanol 8.74
    dipropyl ether 11.75
    1,2-dichlorobenzene 2.35
    ethyl lactate 36.97
    propylene carbonate 55.7
    n-methylformamide 152.45
    2-pentanol 10.5
    n-pentane 0.25
    1-propoxy-2-propanol 50.96
    1-methoxy-2-propyl acetate 40.66
    2-(2-methoxypropoxy) propanol 48.1
    mesitylene 1.7
    ε-caprolactone 40.86
    p-cymene 3.33
    epichlorohydrin 94.14
    1,1,1-trichloroethane 2.4
    2-aminoethanol 42.86
    morpholine-4-carbaldehyde 166.11
    sulfolane 237.12
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 32.82
    n-hexyl acetate 18.91
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 59.74
    sec-butyl acetate 12.27
    tert-butyl acetate 17.76
    decalin 0.38
    glycerin 82.58
    diglyme 99.89
    acrylic acid 34.86
    isopropyl myristate 9.22
    n-butyric acid 30.72
    acetyl acetate 17.13
    di(2-ethylhexyl) phthalate 12.99
    ethyl propionate 23.76
    nitromethane 175.79
    1,2-diethoxyethane 23.39
    benzonitrile 13.88
    trioctyl phosphate 11.29
    1-bromopropane 2.08
    gamma-valerolactone 146.87
    n-decanol 9.06
    triethyl phosphate 14.54
    4-methyl-2-pentanol 9.02
    propionitrile 25.31
    vinylene carbonate 41.45
    1,1,2-trichlorotrifluoroethane 67.99
    DMS 21.09
    cumene 1.9
    2-octanol 6.98
    2-hexanone 26.34
    octyl acetate 12.62
    limonene 4.69
    1,2-dimethoxyethane 112.59
    ethyl orthosilicate 11.29
    tributyl phosphate 12.92
    diacetone alcohol 50.82
    N,N-dimethylaniline 10.46
    acrylonitrile 47.62
    aniline 4.59
    1,3-propanediol 57.42
    bromobenzene 0.97
    dibromomethane 1.21
    1,1,2,2-tetrachloroethane 4.82
    2-methyl-cyclohexyl acetate 15.67
    tetrabutyl urea 22.86
    diisobutyl methanol 7.46
    2-phenylethanol 14.24
    styrene 1.18
    dioctyl adipate 17.12
    dimethyl sulfate 81.45
    ethyl butyrate 19.51
    methyl lactate 66.58
    butyl lactate 23.03
    diethyl carbonate 14.29
    propanediol butyl ether 39.53
    triethyl orthoformate 14.59
    p-tert-butyltoluene 3.22
    methyl 4-tert-butylbenzoate 26.76
    morpholine 50.73
    tert-butylamine 7.51
    n-dodecanol 6.99
    dimethoxymethane 131.81
    ethylene carbonate 33.13
    cyrene 68.03
    2-ethoxyethyl acetate 22.91
    2-ethylhexyl acetate 11.13
    1,2,4-trichlorobenzene 3.58
    4-methylpyridine 12.69
    dibutyl ether 9.43
    2,6-dimethyl-4-heptanol 7.46
    DEF 58.21
    dimethyl isosorbide 85.95
    tetrachloroethylene 2.37
    eugenol 31.84
    triacetin 26.66
    span 80 30.48
    1,4-butanediol 32.94
    1,1-dichloroethane 2.51
    2-methyl-1-pentanol 13.91
    methyl formate 122.41
    2-methyl-1-butanol 13.84
    n-decane 0.71
    butyronitrile 22.97
    3,7-dimethyl-1-octanol 11.17
    1-chlorooctane 3.19
    1-chlorotetradecane 1.73
    n-nonane 0.59
    undecane 0.6
    tert-butylcyclohexane 0.49
    cyclooctane 0.12
    cyclopentanol 21.11
    tetrahydropyran 12.66
    tert-amyl methyl ether 8.13
    2,5,8-trioxanonane 82.72
    1-hexene 1.44
    2-isopropoxyethanol 45.77
    2,2,2-trifluoroethanol 31.74
    methyl butyrate 35.14

    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