Chromone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    491-38-3

    Molecular formula
    C9H6O2

    SMILES
    C1=CC=C2C(=C1)C(=O)C=CO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 90.02%
    Coumarinic 58.11%
    Nutty 44.12%
    Coconut 42.65%
    Almond 42.39%
    Powdery 40.63%
    Phenolic 39.86%
    Balsamic 39.59%
    Burnt 38.59%
    Hay 36.82%

     

    Flavor
    Bitter 80.84%
    Sweet 74.2%
    Green 51.33%
    Tonka 46.58%
    Balsam 37.2%
    Almond 37.16%
    New mown hay 33.06%
    Balsamic 25.16%
    Tobacco 23.5%
    Medical 22.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.06 (neutral)

    Molecular weight
    146.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Melting point expt.

    • 59 °C

    Flash point

    • 102.59 ˚C est.

  • Synonyms

    • CHROMONE
    • 4H-Chromen-4-one
    • 491-38-3
    • 4-Chromone
    • Chromen-4-one
    • Benzo-gamma-pyrone
    • 1,4-benzopyrone
    • DTXSID40197680
    • 20C556MJ76
    • CHEBI:72013
    • RefChem:125916
    • DTXCID00120171
    • 207-737-9
    • 4H-1-Benzopyran-4-one
    • 1-Benzopyran-4-one
    • 4H-Benzo(b)pyran-4-one
    • MFCD00024064
    • 4-oxo-4H-1-benzopyran
    • Benzopyrone
    • 4-chromenone
    • benzopyran-4-one
    • EINECS 207-737-9
    • BRN 0114087
    • Chromone-
    • Benz-g-pyrone
    • UNII-20C556MJ76
    • benzo-|A-pyrone
    • chromone, 12
    • Chromone, 99%
    • Benzo-.gamma.-pyrone
    • 4H-Chromen-4-one #
    • SCHEMBL37994
    • 5-17-10-00139 (Beilstein Handbook Reference)
    • MLS002473394
    • CHEMBL13311
    • SCHEMBL207427
    • SCHEMBL466442
    • FC13
    • orb3029397
    • SCHEMBL1460498
    • SCHEMBL2873532
    • SCHEMBL3354660
    • SCHEMBL7085952
    • SCHEMBL12612291
    • SCHEMBL12612324
    • SCHEMBL29369932
    • BDBM24783
    • EBC-14268
    • MSK164076
    • SBB086467
    • STL570254
    • XH0839
    • AKOS000521772
    • CS-W005942
    • FC54286
    • GS-6824
    • SMR001397486
    • ST092368
    • SY020315
    • DB-051603
    • NS00031861
    • EN300-80154
    • H10070
    • AF-407/03086014
    • F319145
    • Q420156
    • Z1218937140
    • InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6
    • 491-38-3

  • Applications

    Chromone (CAS 491-38-3) is typically used as an organic-chemistry intermediate, providing a versatile scaffold for flavonoid-type compounds and other heterocycles; it serves as a precursor in pharmaceutical research and in the synthesis of dyes and pigments; it also functions as a building block in agrochemical development and in polymer and materials chemistry for functionalized chromone derivatives; in addition, chromone derivatives are explored for applications in organic electronics and fluorescent probes, depending on substitutions and formulation. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.59
    methanol 48.41
    isopropanol 36.26
    water 1.47
    ethyl acetate 142.41
    n-propanol 41.7
    acetone 220.7
    n-butanol 36.64
    acetonitrile 152.13
    DMF 400.11
    toluene 54.42
    isobutanol 35.02
    1,4-dioxane 591.06
    methyl acetate 176.3
    THF 361.69
    2-butanone 160.19
    n-pentanol 43.18
    sec-butanol 34.93
    n-hexane 10.04
    ethylene glycol 29.82
    NMP 349.6
    cyclohexane 8.25
    DMSO 547.69
    n-butyl acetate 103.45
    n-octanol 45.54
    chloroform 223.87
    n-propyl acetate 143.44
    acetic acid 108.23
    dichloromethane 330.64
    cyclohexanone 221.8
    propylene glycol 14.7
    isopropyl acetate 89.27
    DMAc 286.42
    2-ethoxyethanol 133.05
    isopentanol 41.87
    n-heptane 11.26
    ethyl formate 99.59
    1,2-dichloroethane 274.1
    n-hexanol 51.72
    2-methoxyethanol 168.21
    isobutyl acetate 91.56
    tetrachloromethane 35.88
    n-pentyl acetate 84.66
    transcutol 506.63
    n-heptanol 35.84
    ethylbenzene 46.86
    MIBK 93.05
    2-propoxyethanol 142.18
    tert-butanol 54.99
    MTBE 70.22
    2-butoxyethanol 98.86
    propionic acid 75.4
    o-xylene 44.46
    formic acid 40.11
    diethyl ether 106.91
    m-xylene 48.8
    p-xylene 67.31
    chlorobenzene 92.31
    dimethyl carbonate 98.42
    n-octane 6.83
    formamide 110.74
    cyclopentanone 317.17
    2-pentanone 130.4
    anisole 133.35
    cyclopentyl methyl ether 150.2
    gamma-butyrolactone 384.56
    1-methoxy-2-propanol 109.28
    pyridine 233.25
    3-pentanone 116.43
    furfural 313.79
    n-dodecane 7.31
    diethylene glycol 140.9
    diisopropyl ether 36.71
    tert-amyl alcohol 45.72
    acetylacetone 215.04
    n-hexadecane 8.52
    acetophenone 126.97
    methyl propionate 127.12
    isopentyl acetate 85.34
    trichloroethylene 406.41
    n-nonanol 42.32
    cyclohexanol 49.53
    benzyl alcohol 79.59
    2-ethylhexanol 43.51
    isooctanol 35.74
    dipropyl ether 70.93
    1,2-dichlorobenzene 92.43
    ethyl lactate 64.84
    propylene carbonate 163.16
    n-methylformamide 154.75
    2-pentanol 28.95
    n-pentane 5.94
    1-propoxy-2-propanol 89.0
    1-methoxy-2-propyl acetate 111.1
    2-(2-methoxypropoxy) propanol 112.54
    mesitylene 34.24
    ε-caprolactone 204.32
    p-cymene 31.99
    epichlorohydrin 477.01
    1,1,1-trichloroethane 151.36
    2-aminoethanol 37.9
    morpholine-4-carbaldehyde 436.17
    sulfolane 457.52
    2,2,4-trimethylpentane 5.83
    2-methyltetrahydrofuran 214.95
    n-hexyl acetate 117.47
    isooctane 5.33
    2-(2-butoxyethoxy)ethanol 157.79
    sec-butyl acetate 84.97
    tert-butyl acetate 95.13
    decalin 11.52
    glycerin 43.96
    diglyme 341.55
    acrylic acid 84.25
    isopropyl myristate 50.69
    n-butyric acid 81.25
    acetyl acetate 107.4
    di(2-ethylhexyl) phthalate 42.32
    ethyl propionate 118.55
    nitromethane 343.05
    1,2-diethoxyethane 161.27
    benzonitrile 122.38
    trioctyl phosphate 35.44
    1-bromopropane 94.47
    gamma-valerolactone 408.66
    n-decanol 35.0
    triethyl phosphate 51.71
    4-methyl-2-pentanol 27.49
    propionitrile 100.17
    vinylene carbonate 168.82
    1,1,2-trichlorotrifluoroethane 190.59
    DMS 143.1
    cumene 36.26
    2-octanol 30.77
    2-hexanone 133.79
    octyl acetate 62.01
    limonene 39.38
    1,2-dimethoxyethane 336.37
    ethyl orthosilicate 46.27
    tributyl phosphate 44.55
    diacetone alcohol 107.27
    N,N-dimethylaniline 84.34
    acrylonitrile 153.95
    aniline 75.15
    1,3-propanediol 60.03
    bromobenzene 95.01
    dibromomethane 180.06
    1,1,2,2-tetrachloroethane 251.6
    2-methyl-cyclohexyl acetate 68.58
    tetrabutyl urea 63.32
    diisobutyl methanol 31.58
    2-phenylethanol 75.59
    styrene 56.07
    dioctyl adipate 74.25
    dimethyl sulfate 185.41
    ethyl butyrate 85.58
    methyl lactate 63.57
    butyl lactate 63.86
    diethyl carbonate 64.58
    propanediol butyl ether 81.94
    triethyl orthoformate 58.65
    p-tert-butyltoluene 29.74
    methyl 4-tert-butylbenzoate 100.41
    morpholine 362.83
    tert-butylamine 33.53
    n-dodecanol 29.31
    dimethoxymethane 244.5
    ethylene carbonate 142.41
    cyrene 111.43
    2-ethoxyethyl acetate 139.4
    2-ethylhexyl acetate 72.31
    1,2,4-trichlorobenzene 112.65
    4-methylpyridine 180.14
    dibutyl ether 73.84
    2,6-dimethyl-4-heptanol 31.58
    DEF 175.71
    dimethyl isosorbide 194.54
    tetrachloroethylene 171.91
    eugenol 108.26
    triacetin 127.92
    span 80 79.29
    1,4-butanediol 36.26
    1,1-dichloroethane 160.94
    2-methyl-1-pentanol 44.58
    methyl formate 148.95
    2-methyl-1-butanol 35.79
    n-decane 10.52
    butyronitrile 83.32
    3,7-dimethyl-1-octanol 44.92
    1-chlorooctane 41.65
    1-chlorotetradecane 20.01
    n-nonane 9.8
    undecane 8.62
    tert-butylcyclohexane 11.42
    cyclooctane 4.55
    cyclopentanol 66.49
    tetrahydropyran 202.36
    tert-amyl methyl ether 60.12
    2,5,8-trioxanonane 219.35
    1-hexene 34.48
    2-isopropoxyethanol 100.89
    2,2,2-trifluoroethanol 66.24
    methyl butyrate 153.67

    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