4-Chromanone

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  • Identifiers

    CAS number
    491-37-2

    Molecular formula
    C9H8O2

    SMILES
    C1COC2=CC=CC=C2C1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 82.77%
    Coumarinic 76.3%
    Coconut 64.93%
    Hay 55.68%
    Spicy 55.58%
    Herbal 55.17%
    Nutty 47.08%
    Phenolic 45.75%
    Vanilla 45.16%
    Tobacco 44.57%

     

    Flavor
    Sweet 73.02%
    Tonka 58.08%
    Bitter 57.62%
    Herbal 55.64%
    Coconut 50.31%
    Tobacco 41.65%
    Coumarin 41.44%
    Balsam 38.79%
    Almond 37.78%
    Creamy 32.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.71 (neutral)

    Molecular weight
    148.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    282°C

    Flash point

    • 119.06 ˚C est.

  • Synonyms

    • 4-Chromanone
    • 491-37-2
    • Chroman-4-one
    • Chromanone
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-
    • 2,3-Dihydro-1-benzopyran-4-one
    • 2,3-dihydrochromen-4-one
    • 2,3-Dihydro-4H-chromen-4-one
    • Isochromanone
    • MFCD00006840
    • 1341-36-2
    • 3,4-dihydro-2H-1-benzopyran-4-one
    • EINECS 207-736-3
    • 2,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONE
    • 2H-Chromen-4(3H)-one
    • 2,3-Dihydro-4-benzopyranone
    • DTXSID3060081
    • 2,3-Dihydro-2-benzopyran-4-one
    • NSC 174058
    • chromanones
    • dihydrochromone
    • 4-chromanon
    • 4-Chromanone, 97%
    • 2H-[1]benzopyran-4-one
    • SCHEMBL28794
    • CHEMBL453987
    • DTXCID1040667
    • CHEBI:38763
    • CHEBI:180567
    • 3,4-dihydro-2H-benzopyran-4-one
    • ALBB-019685
    • BCP06538
    • STR01088
    • 2,3-Dihydro-4H-chromen-4-one #
    • NSC174058
    • STK801790
    • AKOS000120888
    • AB00814
    • AC-3079
    • BS-3822
    • CS-W007464
    • NSC-174058
    • BP-12827
    • SY003783
    • DB-027561
    • DB-333930
    • C1175
    • NS00022233
    • EN300-18584
    • AB-131/40347218
    • Z85920466
    • F0001-1283

  • Applications

    4-Chromanone is commonly used as an organic synthesis intermediate and building block for chromanone-containing and related heterocyclic structures. In the fragrance and cosmetics industries, it may serve as a fragrance precursor or aroma component for formulations and as a scaffold for chromanone-derived aroma compounds. In pharmaceutical research, it is used as a scaffold for the synthesis of heterocyclic drug-like molecules and other intermediates. In industrial manufacturing, it is employed as a versatile starting material to access more complex chromone/chroman derivatives and related compounds for various applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.05
    methanol 121.31
    isopropanol 56.44
    water 5.4
    ethyl acetate 256.31
    n-propanol 61.96
    acetone 359.75
    n-butanol 55.57
    acetonitrile 345.9
    DMF 609.41
    toluene 118.23
    isobutanol 50.86
    1,4-dioxane 780.88
    methyl acetate 282.88
    THF 411.34
    2-butanone 241.12
    n-pentanol 60.8
    sec-butanol 49.55
    n-hexane 12.9
    ethylene glycol 81.23
    NMP 603.58
    cyclohexane 18.14
    DMSO 839.75
    n-butyl acetate 139.43
    n-octanol 65.98
    chloroform 629.4
    n-propyl acetate 195.31
    acetic acid 212.42
    dichloromethane 804.99
    cyclohexanone 366.15
    propylene glycol 40.63
    isopropyl acetate 147.12
    DMAc 477.11
    2-ethoxyethanol 228.83
    isopentanol 57.67
    n-heptane 14.54
    ethyl formate 196.42
    1,2-dichloroethane 524.97
    n-hexanol 65.47
    2-methoxyethanol 285.05
    isobutyl acetate 120.28
    tetrachloromethane 101.56
    n-pentyl acetate 109.48
    transcutol 779.54
    n-heptanol 46.47
    ethylbenzene 74.36
    MIBK 131.92
    2-propoxyethanol 205.29
    tert-butanol 83.35
    MTBE 96.28
    2-butoxyethanol 127.69
    propionic acid 149.16
    o-xylene 89.6
    formic acid 108.42
    diethyl ether 150.02
    m-xylene 91.32
    p-xylene 106.57
    chlorobenzene 230.48
    dimethyl carbonate 186.06
    n-octane 9.28
    formamide 224.75
    cyclopentanone 487.72
    2-pentanone 193.63
    anisole 227.33
    cyclopentyl methyl ether 198.99
    gamma-butyrolactone 616.56
    1-methoxy-2-propanol 185.49
    pyridine 360.05
    3-pentanone 186.97
    furfural 609.71
    n-dodecane 11.62
    diethylene glycol 267.98
    diisopropyl ether 53.81
    tert-amyl alcohol 65.55
    acetylacetone 387.8
    n-hexadecane 13.52
    acetophenone 221.41
    methyl propionate 224.34
    isopentyl acetate 119.89
    trichloroethylene 858.64
    n-nonanol 58.52
    cyclohexanol 80.97
    benzyl alcohol 139.42
    2-ethylhexanol 55.24
    isooctanol 46.33
    dipropyl ether 94.58
    1,2-dichlorobenzene 236.53
    ethyl lactate 110.5
    propylene carbonate 295.45
    n-methylformamide 296.52
    2-pentanol 43.54
    n-pentane 10.06
    1-propoxy-2-propanol 126.0
    1-methoxy-2-propyl acetate 180.31
    2-(2-methoxypropoxy) propanol 171.65
    mesitylene 66.67
    ε-caprolactone 313.98
    p-cymene 52.16
    epichlorohydrin 657.5
    1,1,1-trichloroethane 353.04
    2-aminoethanol 76.49
    morpholine-4-carbaldehyde 779.97
    sulfolane 748.8
    2,2,4-trimethylpentane 9.92
    2-methyltetrahydrofuran 256.47
    n-hexyl acetate 169.99
    isooctane 8.83
    2-(2-butoxyethoxy)ethanol 236.09
    sec-butyl acetate 122.25
    tert-butyl acetate 148.46
    decalin 20.91
    glycerin 113.32
    diglyme 508.2
    acrylic acid 186.56
    isopropyl myristate 78.71
    n-butyric acid 147.24
    acetyl acetate 222.93
    di(2-ethylhexyl) phthalate 70.61
    ethyl propionate 178.18
    nitromethane 723.55
    1,2-diethoxyethane 229.83
    benzonitrile 242.82
    trioctyl phosphate 53.25
    1-bromopropane 159.23
    gamma-valerolactone 673.77
    n-decanol 47.97
    triethyl phosphate 94.36
    4-methyl-2-pentanol 38.89
    propionitrile 197.08
    vinylene carbonate 324.51
    1,1,2-trichlorotrifluoroethane 375.14
    DMS 239.82
    cumene 58.4
    2-octanol 39.31
    2-hexanone 175.89
    octyl acetate 94.02
    limonene 64.64
    1,2-dimethoxyethane 468.36
    ethyl orthosilicate 81.08
    tributyl phosphate 74.55
    diacetone alcohol 159.74
    N,N-dimethylaniline 145.4
    acrylonitrile 302.78
    aniline 145.72
    1,3-propanediol 104.69
    bromobenzene 250.01
    dibromomethane 419.03
    1,1,2,2-tetrachloroethane 558.74
    2-methyl-cyclohexyl acetate 109.7
    tetrabutyl urea 105.53
    diisobutyl methanol 44.54
    2-phenylethanol 118.03
    styrene 99.48
    dioctyl adipate 122.14
    dimethyl sulfate 345.44
    ethyl butyrate 135.74
    methyl lactate 136.98
    butyl lactate 89.65
    diethyl carbonate 118.08
    propanediol butyl ether 126.41
    triethyl orthoformate 99.5
    p-tert-butyltoluene 48.37
    methyl 4-tert-butylbenzoate 159.95
    morpholine 471.08
    tert-butylamine 51.94
    n-dodecanol 40.81
    dimethoxymethane 367.25
    ethylene carbonate 255.98
    cyrene 183.82
    2-ethoxyethyl acetate 195.35
    2-ethylhexyl acetate 100.89
    1,2,4-trichlorobenzene 276.62
    4-methylpyridine 302.41
    dibutyl ether 99.33
    2,6-dimethyl-4-heptanol 44.54
    DEF 287.23
    dimethyl isosorbide 303.2
    tetrachloroethylene 358.71
    eugenol 166.46
    triacetin 229.26
    span 80 122.59
    1,4-butanediol 68.42
    1,1-dichloroethane 336.38
    2-methyl-1-pentanol 62.27
    methyl formate 307.01
    2-methyl-1-butanol 52.44
    n-decane 15.85
    butyronitrile 148.44
    3,7-dimethyl-1-octanol 65.76
    1-chlorooctane 61.06
    1-chlorotetradecane 32.12
    n-nonane 14.66
    undecane 13.52
    tert-butylcyclohexane 18.84
    cyclooctane 10.56
    cyclopentanol 96.91
    tetrahydropyran 253.01
    tert-amyl methyl ether 82.97
    2,5,8-trioxanonane 351.55
    1-hexene 40.72
    2-isopropoxyethanol 158.93
    2,2,2-trifluoroethanol 149.65
    methyl butyrate 222.66

    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