Flavesone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    22595-45-5

    Molecular formula
    C14H20O4

    SMILES
    CC(C)C(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C

    Retention indicies (RI)

    • Carbowax: 1986.0

  • Odor profile

    Fruity 44.52%
    Caramellic 41.06%
    Burnt 34.2%
    Mint 31.04%
    Tobacco 28.26%
    Sweet 27.02%
    Herbal 26.32%
    Woody 25.63%
    Ketonic 24.67%
    Camphoreous 23.59%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.89 (weak acid)

    Molecular weight
    252.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    404°C

    Flash point est.
    136.57 ˚C

  • Synonyms

    • Flavesone
    • 22595-45-5
    • UNII-9X167ZSG8Z
    • 9X167ZSG8Z
    • 6-Isobutyryl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
    • 1,3,5-Cyclohexanetrione, 6-isobutyryl-2,2,4,4-tetramethyl-
    • DTXSID10177116
    • 1,3,5-Cyclohexanetrione, 2,2,4,4,-tetramethyl-6-(2-methyl-1-oxopropyl)-
    • 2,2,4,4-TETRAMETHYL-6-(2-METHYL-1-OXOPROPYL)-1,3,5-CYCLOHEXANETRIONE
    • 2,2,4,4-TETRAMETHYL-6-(2-METHYLPROPANOYL)CYCLOHEXANE-1,3,5-TRIONE
    • 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methyl-1-oxopropyl)-
    • FLAVESONE [INCI]
    • SCHEMBL1573381
    • DTXCID0099607
    • AT44538
    • DB-148617
    • Q27273328

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.94
    methanol 36.84
    isopropanol 43.84
    water 0.46
    ethyl acetate 66.98
    n-propanol 47.08
    acetone 93.35
    n-butanol 46.46
    acetonitrile 59.39
    DMF 182.09
    toluene 141.95
    isobutanol 41.9
    1,4-dioxane 183.41
    methyl acetate 86.94
    THF 288.85
    2-butanone 109.6
    n-pentanol 43.95
    sec-butanol 51.92
    n-hexane 14.14
    ethylene glycol 11.2
    NMP 298.13
    cyclohexane 27.48
    DMSO 104.47
    n-butyl acetate 73.81
    n-octanol 37.04
    chloroform 290.68
    n-propyl acetate 60.58
    acetic acid 38.05
    dichloromethane 207.24
    cyclohexanone 201.08
    propylene glycol 15.58
    isopropyl acetate 51.54
    DMAc 209.06
    2-ethoxyethanol 57.33
    isopentanol 44.82
    n-heptane 9.12
    ethyl formate 65.87
    1,2-dichloroethane 129.37
    n-hexanol 64.35
    2-methoxyethanol 71.66
    isobutyl acetate 45.51
    tetrachloromethane 59.96
    n-pentyl acetate 57.97
    transcutol 47.3
    n-heptanol 40.18
    ethylbenzene 89.5
    MIBK 58.24
    2-propoxyethanol 93.24
    tert-butanol 54.59
    MTBE 55.11
    2-butoxyethanol 54.4
    propionic acid 43.39
    o-xylene 98.23
    formic acid 18.75
    diethyl ether 53.2
    m-xylene 88.24
    p-xylene 119.87
    chlorobenzene 134.19
    dimethyl carbonate 44.64
    n-octane 6.54
    formamide 35.06
    cyclopentanone 247.51
    2-pentanone 79.11
    anisole 106.44
    cyclopentyl methyl ether 117.34
    gamma-butyrolactone 241.15
    1-methoxy-2-propanol 60.72
    pyridine 218.65
    3-pentanone 75.23
    furfural 224.36
    n-dodecane 5.3
    diethylene glycol 55.48
    diisopropyl ether 24.28
    tert-amyl alcohol 59.61
    acetylacetone 90.6
    n-hexadecane 6.35
    acetophenone 118.51
    methyl propionate 71.76
    isopentyl acetate 68.64
    trichloroethylene 249.97
    n-nonanol 34.67
    cyclohexanol 84.2
    benzyl alcohol 94.15
    2-ethylhexanol 44.99
    isooctanol 32.64
    dipropyl ether 37.8
    1,2-dichlorobenzene 120.75
    ethyl lactate 36.19
    propylene carbonate 142.82
    n-methylformamide 72.2
    2-pentanol 35.4
    n-pentane 11.76
    1-propoxy-2-propanol 56.37
    1-methoxy-2-propyl acetate 67.69
    2-(2-methoxypropoxy) propanol 45.97
    mesitylene 55.0
    ε-caprolactone 168.26
    p-cymene 48.57
    epichlorohydrin 227.7
    1,1,1-trichloroethane 140.11
    2-aminoethanol 22.23
    morpholine-4-carbaldehyde 208.2
    sulfolane 242.7
    2,2,4-trimethylpentane 8.57
    2-methyltetrahydrofuran 196.6
    n-hexyl acetate 69.1
    isooctane 5.71
    2-(2-butoxyethoxy)ethanol 45.71
    sec-butyl acetate 46.82
    tert-butyl acetate 55.54
    decalin 21.69
    glycerin 21.92
    diglyme 84.47
    acrylic acid 40.95
    isopropyl myristate 29.3
    n-butyric acid 54.44
    acetyl acetate 49.58
    di(2-ethylhexyl) phthalate 38.83
    ethyl propionate 59.63
    nitromethane 85.35
    1,2-diethoxyethane 40.75
    benzonitrile 126.38
    trioctyl phosphate 27.3
    1-bromopropane 86.68
    gamma-valerolactone 254.35
    n-decanol 25.71
    triethyl phosphate 38.97
    4-methyl-2-pentanol 25.72
    propionitrile 68.6
    vinylene carbonate 123.48
    1,1,2-trichlorotrifluoroethane 113.56
    DMS 63.37
    cumene 56.81
    2-octanol 32.23
    2-hexanone 76.32
    octyl acetate 38.56
    limonene 54.02
    1,2-dimethoxyethane 126.21
    ethyl orthosilicate 36.4
    tributyl phosphate 28.27
    diacetone alcohol 63.13
    N,N-dimethylaniline 92.4
    acrylonitrile 78.25
    aniline 93.74
    1,3-propanediol 36.11
    bromobenzene 149.1
    dibromomethane 158.64
    1,1,2,2-tetrachloroethane 218.05
    2-methyl-cyclohexyl acetate 67.34
    tetrabutyl urea 46.31
    diisobutyl methanol 25.44
    2-phenylethanol 102.69
    styrene 88.39
    dioctyl adipate 40.43
    dimethyl sulfate 75.57
    ethyl butyrate 55.37
    methyl lactate 40.83
    butyl lactate 41.74
    diethyl carbonate 42.74
    propanediol butyl ether 37.14
    triethyl orthoformate 42.29
    p-tert-butyltoluene 45.85
    methyl 4-tert-butylbenzoate 79.37
    morpholine 189.41
    tert-butylamine 38.79
    n-dodecanol 19.69
    dimethoxymethane 99.15
    ethylene carbonate 97.7
    cyrene 98.16
    2-ethoxyethyl acetate 57.63
    2-ethylhexyl acetate 63.18
    1,2,4-trichlorobenzene 143.86
    4-methylpyridine 213.48
    dibutyl ether 29.8
    2,6-dimethyl-4-heptanol 25.44
    DEF 99.02
    dimethyl isosorbide 121.19
    tetrachloroethylene 143.85
    eugenol 70.42
    triacetin 51.89
    span 80 45.17
    1,4-butanediol 23.87
    1,1-dichloroethane 120.19
    2-methyl-1-pentanol 48.19
    methyl formate 67.43
    2-methyl-1-butanol 46.38
    n-decane 8.7
    butyronitrile 73.64
    3,7-dimethyl-1-octanol 32.85
    1-chlorooctane 32.39
    1-chlorotetradecane 14.66
    n-nonane 7.75
    undecane 6.62
    tert-butylcyclohexane 16.81
    cyclooctane 11.21
    cyclopentanol 100.26
    tetrahydropyran 166.3
    tert-amyl methyl ether 55.01
    2,5,8-trioxanonane 62.98
    1-hexene 36.52
    2-isopropoxyethanol 46.78
    2,2,2-trifluoroethanol 26.95
    methyl butyrate 83.13

    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

Botanical

Name CAS Botanical Proportion
Manuka (New Zealand) 2 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 3.5%
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 4.91%
Manuka (New Zealand) 3 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 2.0%
Manuka (New Zealand) Leptospermum scoparium 1.89%