5-Acetonyl-7-Hydroxy-2-Methylchromone

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  • Identifiers

    CAS number
    28955-30-8

    Molecular formula
    C13H12O4

    SMILES
    CC1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 57.64%
    Burnt 37.56%
    Caramellic 36.62%
    Berry 33.49%
    Sweet 31.17%
    Roasted 30.92%
    Woody 30.23%
    Dry 29.96%
    Nutty 29.09%
    Phenolic 28.46%

     

    Flavor
    Bitter 37.29%
    Musty 26.87%
    Sweet 26.66%
    Nutty 26.6%
    Woody 23.46%
    Mild 23.39%
    Burnt 22.22%
    Phenolic 22.17%
    Bread crust 21.03%
    Shellfish 20.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.32 (weak base)

    Molecular weight
    232.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    524°C

    Melting point expt.

    • 210 °C

    Flash point

    • 193.62 ˚C est.

  • Synonyms

    • 28955-30-8
    • 5-Acetonyl-7-hydroxy-2-methylchromone
    • 7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one
    • Chromone, 5-acetonyl-7-hydroxy-2-methyl-
    • DTXSID70183152
    • RefChem:913226
    • DTXCID80105643
    • Cassiachromone
    • 2-Methyl-5-acetonyl-7-hydroxychromone
    • 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-5-(2-oxopropyl)-
    • 7-hydroxy-2-methyl-5-(2-oxopropyl)-4H-chromen-4-one
    • CHEMBL457049
    • Chromone, 5-acetonyl-7-hydroxy-2-methyl- (8CI); 7-Hydroxy-2-methyl-5-(2-oxopropyl)-4H-1-benzopyran-4-one; 5-Acetonyl-7-hydroxy-2-methylchromone; 5-Acetylmethyl-7-hydroxy-2-methylchromone
    • orb1684077
    • SCHEMBL6925761
    • SCHEMBL31670261
    • ACon1_001464
    • CHEBI:168073
    • HY-N3546
    • BDBM50244182
    • AKOS022658076
    • FS-9722
    • 5-acetonyl-7-hydroxy-2-methyl chromone
    • 5-Acetonyl-7-hydroxy-2-methyl-Chromone
    • NCGC00180479-01
    • DB-108251
    • 5-Acetonyl-7-hydroxy-2-methylchromone, 8CI
    • CS-0023812
    • H63702
    • BRD-K32606444-001-01-3
    • 7-Hydroxy-2-methyl-5-(2-oxopropyl)-4H-1-benzopyran-4-one
    • 7-Hydroxy-2-methyl-5-(2-oxopropyl)-4H-1-benzopyran-4-one, 9CI
    • 28955-30-8

  • Applications

    5-Acetonyl-7-Hydroxy-2-Methylchromone (CAS 28955-30-8) is regarded as an organic-synthesis intermediate and an important building block within the chromone family for multiple industries. Typical applications include use as an intermediate in pharmaceutical and agrochemical development, as a precursor for dye and pigment entities used in coatings, inks, and plastics, and as a component or precursor in fragrance and cosmetic formulations. Additionally, the chromone scaffold enables exploration as a basis for polymer-related materials, potentially contributing color-related functionality or photostability in specialty polymers, subject to formulation constraints and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.13
    methanol 33.07
    isopropanol 8.6
    water 1.29
    ethyl acetate 25.04
    n-propanol 12.49
    acetone 51.71
    n-butanol 9.3
    acetonitrile 43.86
    DMF 435.85
    toluene 1.22
    isobutanol 8.93
    1,4-dioxane 94.7
    methyl acetate 47.95
    THF 172.61
    2-butanone 25.46
    n-pentanol 9.94
    sec-butanol 6.43
    n-hexane 0.08
    ethylene glycol 32.82
    NMP 353.79
    cyclohexane 0.09
    DMSO 314.67
    n-butyl acetate 19.41
    n-octanol 11.53
    chloroform 4.22
    n-propyl acetate 32.55
    acetic acid 109.42
    dichloromethane 12.58
    cyclohexanone 52.27
    propylene glycol 32.19
    isopropyl acetate 12.69
    DMAc 239.83
    2-ethoxyethanol 74.45
    isopentanol 8.87
    n-heptane 0.18
    ethyl formate 43.98
    1,2-dichloroethane 8.77
    n-hexanol 6.53
    2-methoxyethanol 171.29
    isobutyl acetate 18.43
    tetrachloromethane 0.28
    n-pentyl acetate 18.38
    transcutol 353.34
    n-heptanol 6.87
    ethylbenzene 1.4
    MIBK 11.81
    2-propoxyethanol 77.23
    tert-butanol 10.97
    MTBE 4.05
    2-butoxyethanol 39.98
    propionic acid 42.9
    o-xylene 1.43
    formic acid 88.2
    diethyl ether 4.72
    m-xylene 1.61
    p-xylene 2.54
    chlorobenzene 4.15
    dimethyl carbonate 53.43
    n-octane 0.12
    formamide 141.95
    cyclopentanone 121.6
    2-pentanone 17.48
    anisole 15.34
    cyclopentyl methyl ether 26.85
    gamma-butyrolactone 262.31
    1-methoxy-2-propanol 92.86
    pyridine 28.53
    3-pentanone 10.41
    furfural 209.31
    n-dodecane 0.26
    diethylene glycol 107.94
    diisopropyl ether 1.04
    tert-amyl alcohol 7.37
    acetylacetone 59.32
    n-hexadecane 0.31
    acetophenone 26.47
    methyl propionate 43.56
    isopentyl acetate 16.35
    trichloroethylene 18.99
    n-nonanol 11.38
    cyclohexanol 9.71
    benzyl alcohol 20.7
    2-ethylhexanol 6.02
    isooctanol 6.2
    dipropyl ether 7.9
    1,2-dichlorobenzene 5.53
    ethyl lactate 40.05
    propylene carbonate 105.77
    n-methylformamide 171.8
    2-pentanol 4.1
    n-pentane 0.05
    1-propoxy-2-propanol 47.23
    1-methoxy-2-propyl acetate 47.66
    2-(2-methoxypropoxy) propanol 70.84
    mesitylene 0.97
    ε-caprolactone 78.92
    p-cymene 2.28
    epichlorohydrin 165.19
    1,1,1-trichloroethane 2.77
    2-aminoethanol 36.22
    morpholine-4-carbaldehyde 400.75
    sulfolane 269.46
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 48.43
    n-hexyl acetate 29.84
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 105.02
    sec-butyl acetate 13.63
    tert-butyl acetate 15.54
    decalin 0.24
    glycerin 89.87
    diglyme 176.67
    acrylic acid 67.27
    isopropyl myristate 10.33
    n-butyric acid 36.15
    acetyl acetate 24.25
    di(2-ethylhexyl) phthalate 17.82
    ethyl propionate 28.4
    nitromethane 344.42
    1,2-diethoxyethane 39.4
    benzonitrile 24.41
    trioctyl phosphate 11.61
    1-bromopropane 1.79
    gamma-valerolactone 320.92
    n-decanol 8.52
    triethyl phosphate 13.78
    4-methyl-2-pentanol 3.54
    propionitrile 17.19
    vinylene carbonate 104.35
    1,1,2-trichlorotrifluoroethane 109.55
    DMS 52.88
    cumene 1.6
    2-octanol 5.43
    2-hexanone 20.9
    octyl acetate 16.62
    limonene 2.76
    1,2-dimethoxyethane 129.9
    ethyl orthosilicate 11.12
    tributyl phosphate 15.76
    diacetone alcohol 42.35
    N,N-dimethylaniline 12.24
    acrylonitrile 45.07
    aniline 8.49
    1,3-propanediol 44.1
    bromobenzene 2.65
    dibromomethane 3.57
    1,1,2,2-tetrachloroethane 10.86
    2-methyl-cyclohexyl acetate 19.02
    tetrabutyl urea 23.77
    diisobutyl methanol 4.02
    2-phenylethanol 17.72
    styrene 1.55
    dioctyl adipate 25.81
    dimethyl sulfate 109.72
    ethyl butyrate 20.97
    methyl lactate 66.34
    butyl lactate 30.86
    diethyl carbonate 16.78
    propanediol butyl ether 64.83
    triethyl orthoformate 16.85
    p-tert-butyltoluene 2.02
    methyl 4-tert-butylbenzoate 34.75
    morpholine 120.2
    tert-butylamine 2.97
    n-dodecanol 6.18
    dimethoxymethane 137.33
    ethylene carbonate 72.74
    cyrene 92.56
    2-ethoxyethyl acetate 50.17
    2-ethylhexyl acetate 12.03
    1,2,4-trichlorobenzene 9.7
    4-methylpyridine 28.83
    dibutyl ether 10.22
    2,6-dimethyl-4-heptanol 4.02
    DEF 51.93
    dimethyl isosorbide 132.21
    tetrachloroethylene 4.46
    eugenol 50.71
    triacetin 61.58
    span 80 51.11
    1,4-butanediol 21.11
    1,1-dichloroethane 3.4
    2-methyl-1-pentanol 8.98
    methyl formate 184.69
    2-methyl-1-butanol 8.19
    n-decane 0.38
    butyronitrile 14.59
    3,7-dimethyl-1-octanol 9.56
    1-chlorooctane 2.66
    1-chlorotetradecane 1.26
    n-nonane 0.28
    undecane 0.31
    tert-butylcyclohexane 0.26
    cyclooctane 0.04
    cyclopentanol 21.6
    tetrahydropyran 21.83
    tert-amyl methyl ether 4.69
    2,5,8-trioxanonane 131.82
    1-hexene 0.71
    2-isopropoxyethanol 42.28
    2,2,2-trifluoroethanol 50.88
    methyl butyrate 41.02

    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