Ovalitenone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    64280-22-4

    Molecular formula
    C19H14O6

    SMILES
    COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC4=C(C=C3)OCO4

    Safety labels

  • Odor profile

    Fragrance
    Sweet 43.87%
    Vanilla 41.57%
    Floral 35.71%
    Balsamic 35.29%
    Powdery 34.62%
    Spicy 31.3%
    Fruity 31.07%
    Creamy 28.64%
    Odorless 26.15%
    Aromatic 24.32%

     

    Flavor
    Bitter 86.6%
    Odorless 28.26%
    Bland 25.81%
    Sweet-like 20.2%
    Parsley 19.68%
    Lovage 19.62%
    Cedarleaf 18.79%
    Ripe apricot 18.37%
    Aniseed 18.37%
    Nitrile 18.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.64 (neutral)

    Molecular weight
    338.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Melting point expt.

    • 123 - 126 °C

    Flash point

    • 199.73 ˚C est.

  • Synonyms

    • Ovalitenone
    • Glabra I
    • 64280-22-4
    • 1-(1,3-Benzodioxol-5-yl)-3-(4-methoxy-5-benzofuranyl)-1,3-propanedione, 9CI
    • RefChem:168747
    • 1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
    • 1,3-Propanedione, 1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-5-benzofuranyl)-
    • orb2815230
    • Z4A64NB72U
    • SCHEMBL29598682
    • CHEBI:175301
    • SDJBCBKWKASUCJ-UHFFFAOYSA-N
    • DTXSID901318237
    • HY-N15267
    • LMPK12120372
    • 1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
    • 1-(1,3-Benzodioxol-5-yl)-3-(4-methoxy-5-benzofuranyl)-1,3-propanedione
    • 1-(1,3-Benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-propanedione #
    • 1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzouran-5-yl)propane-1,3-dione
    • 3-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(4-methoxy-5-benzofuranyl)-2-propen-1-one
    • (2Z)-3-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
    • 64280-22-4

  • Applications

    Ovalitenone (CAS 64280-22-4) is primarily regarded as an aroma chemical; in perfumery and flavor applications it may serve as an odorant or fragrance component and can act as a fixative in certain formulations. It is commonly evaluated for use in cosmetics and personal care products to impart specific scent characteristics. In household products and cleaners, it can function as a fragrance ingredient to provide fresh notes. It may be used as an intermediate or solvent in industrial manufacturing and chemical synthesis processes. In coatings, inks, and adhesives, ovalitenone can be incorporated as a fragrance-related additive or processing aid. In polymer and plastics formulations it may act as a minor odorant or compatibility aid. Its actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.09
    methanol 1.19
    isopropanol 1.9
    water 0.01
    ethyl acetate 7.2
    n-propanol 1.89
    acetone 22.77
    n-butanol 1.76
    acetonitrile 14.11
    DMF 59.65
    toluene 1.36
    isobutanol 1.83
    1,4-dioxane 35.0
    methyl acetate 15.59
    THF 69.06
    2-butanone 17.88
    n-pentanol 1.98
    sec-butanol 2.24
    n-hexane 0.05
    ethylene glycol 3.08
    NMP 32.28
    cyclohexane 0.14
    DMSO 97.3
    n-butyl acetate 4.41
    n-octanol 2.35
    chloroform 14.34
    n-propyl acetate 6.97
    acetic acid 11.4
    dichloromethane 16.52
    cyclohexanone 24.57
    propylene glycol 2.19
    isopropyl acetate 5.29
    DMAc 84.84
    2-ethoxyethanol 15.33
    isopentanol 2.22
    n-heptane 0.11
    ethyl formate 5.53
    1,2-dichloroethane 10.25
    n-hexanol 1.25
    2-methoxyethanol 18.94
    isobutyl acetate 4.94
    tetrachloromethane 0.64
    n-pentyl acetate 4.52
    transcutol 33.83
    n-heptanol 1.85
    ethylbenzene 1.23
    MIBK 5.89
    2-propoxyethanol 14.01
    tert-butanol 2.93
    MTBE 2.85
    2-butoxyethanol 8.82
    propionic acid 6.54
    o-xylene 1.08
    formic acid 5.67
    diethyl ether 2.93
    m-xylene 0.78
    p-xylene 2.23
    chlorobenzene 3.17
    dimethyl carbonate 13.34
    n-octane 0.11
    formamide 15.88
    cyclopentanone 41.26
    2-pentanone 8.87
    anisole 7.19
    cyclopentyl methyl ether 8.02
    gamma-butyrolactone 43.88
    1-methoxy-2-propanol 14.05
    pyridine 19.98
    3-pentanone 9.77
    furfural 28.27
    n-dodecane 0.2
    diethylene glycol 17.02
    diisopropyl ether 0.95
    tert-amyl alcohol 2.79
    acetylacetone 20.55
    n-hexadecane 0.25
    acetophenone 10.31
    methyl propionate 10.68
    isopentyl acetate 5.01
    trichloroethylene 26.01
    n-nonanol 2.85
    cyclohexanol 3.51
    benzyl alcohol 6.9
    2-ethylhexanol 1.57
    isooctanol 2.06
    dipropyl ether 3.5
    1,2-dichlorobenzene 3.71
    ethyl lactate 6.86
    propylene carbonate 10.68
    n-methylformamide 16.43
    2-pentanol 1.42
    n-pentane 0.03
    1-propoxy-2-propanol 9.15
    1-methoxy-2-propyl acetate 10.64
    2-(2-methoxypropoxy) propanol 15.44
    mesitylene 0.52
    ε-caprolactone 16.92
    p-cymene 1.03
    epichlorohydrin 47.21
    1,1,1-trichloroethane 5.2
    2-aminoethanol 3.22
    morpholine-4-carbaldehyde 51.2
    sulfolane 50.99
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 15.38
    n-hexyl acetate 6.16
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 16.22
    sec-butyl acetate 4.74
    tert-butyl acetate 5.68
    decalin 0.16
    glycerin 8.76
    diglyme 37.32
    acrylic acid 9.0
    isopropyl myristate 3.91
    n-butyric acid 5.28
    acetyl acetate 7.19
    di(2-ethylhexyl) phthalate 4.41
    ethyl propionate 7.37
    nitromethane 58.46
    1,2-diethoxyethane 11.43
    benzonitrile 7.87
    trioctyl phosphate 3.02
    1-bromopropane 2.5
    gamma-valerolactone 62.86
    n-decanol 2.27
    triethyl phosphate 5.34
    4-methyl-2-pentanol 1.21
    propionitrile 9.16
    vinylene carbonate 12.2
    1,1,2-trichlorotrifluoroethane 27.6
    DMS 10.61
    cumene 0.89
    2-octanol 1.55
    2-hexanone 10.27
    octyl acetate 4.55
    limonene 1.25
    1,2-dimethoxyethane 36.6
    ethyl orthosilicate 4.59
    tributyl phosphate 3.98
    diacetone alcohol 10.81
    N,N-dimethylaniline 4.66
    acrylonitrile 18.75
    aniline 3.97
    1,3-propanediol 5.97
    bromobenzene 2.9
    dibromomethane 6.58
    1,1,2,2-tetrachloroethane 18.58
    2-methyl-cyclohexyl acetate 6.45
    tetrabutyl urea 7.51
    diisobutyl methanol 1.35
    2-phenylethanol 5.19
    styrene 1.61
    dioctyl adipate 7.32
    dimethyl sulfate 26.28
    ethyl butyrate 5.83
    methyl lactate 10.24
    butyl lactate 5.53
    diethyl carbonate 5.25
    propanediol butyl ether 6.68
    triethyl orthoformate 6.77
    p-tert-butyltoluene 0.84
    methyl 4-tert-butylbenzoate 8.87
    morpholine 30.15
    tert-butylamine 0.91
    n-dodecanol 1.87
    dimethoxymethane 30.07
    ethylene carbonate 10.73
    cyrene 17.95
    2-ethoxyethyl acetate 9.44
    2-ethylhexyl acetate 3.99
    1,2,4-trichlorobenzene 6.05
    4-methylpyridine 10.9
    dibutyl ether 4.66
    2,6-dimethyl-4-heptanol 1.35
    DEF 14.74
    dimethyl isosorbide 25.69
    tetrachloroethylene 8.5
    eugenol 10.98
    triacetin 12.93
    span 80 8.41
    1,4-butanediol 3.81
    1,1-dichloroethane 5.67
    2-methyl-1-pentanol 2.42
    methyl formate 15.31
    2-methyl-1-butanol 2.01
    n-decane 0.3
    butyronitrile 5.14
    3,7-dimethyl-1-octanol 2.45
    1-chlorooctane 1.44
    1-chlorotetradecane 0.79
    n-nonane 0.22
    undecane 0.24
    tert-butylcyclohexane 0.11
    cyclooctane 0.05
    cyclopentanol 5.51
    tetrahydropyran 12.74
    tert-amyl methyl ether 2.76
    2,5,8-trioxanonane 30.62
    1-hexene 0.37
    2-isopropoxyethanol 10.29
    2,2,2-trifluoroethanol 8.2
    methyl butyrate 9.17

    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