Cerasinone

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  • Identifiers

    CAS number
    64166-14-9

    Molecular formula
    C18H18O6

    SMILES
    COC1=CC(=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 70.49%
    Vanilla 48.58%
    Spicy 45.83%
    Phenolic 45.62%
    Powdery 33.45%
    Creamy 31.01%
    Balsamic 30.83%
    Woody 27.91%
    Aromatic 27.8%
    Smoky 26.25%

     

    Flavor
    Bitter 87.12%
    Bland 23.29%
    Parsley 21.4%
    Cedarleaf 20.33%
    Lovage 20.21%
    Sweet-like 19.57%
    Ripe apricot 19.28%
    Red fruit 18.95%
    Ethyl benzoate 18.77%
    Eugenol 18.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.92 (neutral)

    Molecular weight
    330.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    641°C

    Melting point expt.

    • 200 - 201 °C

    Flash point

    • 198.62 ˚C est.

  • Synonyms

    • Cerasinone
    • 7-Hydroxy-2',4',5-trimethoxyflavanone
    • (2S)-2-(2,4-Dimethoxyphenyl)-2,3-dihydro-7-hydroxy-5-methoxy-4H-1-benzopyran-4-one
    • CHEBI:175210
    • 64166-14-9
    • LMPK12140530
    • 2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
    • 64166-14-9

  • Applications

    Cerasinone (CAS 64166-14-9) may be used as a synthetic intermediate in specialty chemical synthesis and can function as a solvent or processing aid in industrial manufacturing, including coatings and inks; it may serve as an odorant or fragrance component in perfumery and cosmetics, potentially acting as a fixative where formulation constraints permit; it may act as a plasticizer or stabilizer in certain polymer systems; it may be considered as a cleaning solvent or formulation aid in household or industrial cleaning products; and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.72
    methanol 8.5
    isopropanol 4.55
    water 0.02
    ethyl acetate 46.65
    n-propanol 4.63
    acetone 123.36
    n-butanol 3.8
    acetonitrile 67.71
    DMF 212.64
    toluene 5.56
    isobutanol 4.51
    1,4-dioxane 85.9
    methyl acetate 63.78
    THF 195.93
    2-butanone 52.18
    n-pentanol 4.36
    sec-butanol 3.47
    n-hexane 0.15
    ethylene glycol 9.17
    NMP 172.79
    cyclohexane 0.43
    DMSO 607.57
    n-butyl acetate 18.94
    n-octanol 5.01
    chloroform 75.56
    n-propyl acetate 24.37
    acetic acid 52.22
    dichloromethane 88.32
    cyclohexanone 64.81
    propylene glycol 7.21
    isopropyl acetate 22.12
    DMAc 300.73
    2-ethoxyethanol 32.02
    isopentanol 5.12
    n-heptane 0.32
    ethyl formate 32.35
    1,2-dichloroethane 62.74
    n-hexanol 3.55
    2-methoxyethanol 56.62
    isobutyl acetate 17.14
    tetrachloromethane 5.1
    n-pentyl acetate 11.15
    transcutol 78.6
    n-heptanol 3.55
    ethylbenzene 3.44
    MIBK 18.99
    2-propoxyethanol 38.5
    tert-butanol 10.87
    MTBE 7.89
    2-butoxyethanol 17.59
    propionic acid 21.48
    o-xylene 4.94
    formic acid 24.58
    diethyl ether 8.12
    m-xylene 4.57
    p-xylene 6.32
    chlorobenzene 17.28
    dimethyl carbonate 63.02
    n-octane 0.2
    formamide 54.12
    cyclopentanone 133.64
    2-pentanone 33.8
    anisole 18.1
    cyclopentyl methyl ether 25.89
    gamma-butyrolactone 186.11
    1-methoxy-2-propanol 37.14
    pyridine 43.83
    3-pentanone 30.11
    furfural 118.81
    n-dodecane 0.39
    diethylene glycol 53.27
    diisopropyl ether 3.02
    tert-amyl alcohol 5.9
    acetylacetone 106.8
    n-hexadecane 0.48
    acetophenone 27.93
    methyl propionate 51.11
    isopentyl acetate 18.24
    trichloroethylene 136.42
    n-nonanol 5.35
    cyclohexanol 7.09
    benzyl alcohol 15.92
    2-ethylhexanol 4.54
    isooctanol 3.91
    dipropyl ether 8.58
    1,2-dichlorobenzene 20.83
    ethyl lactate 21.98
    propylene carbonate 64.72
    n-methylformamide 65.42
    2-pentanol 2.53
    n-pentane 0.12
    1-propoxy-2-propanol 24.68
    1-methoxy-2-propyl acetate 42.65
    2-(2-methoxypropoxy) propanol 34.68
    mesitylene 3.14
    ε-caprolactone 49.88
    p-cymene 4.37
    epichlorohydrin 177.2
    1,1,1-trichloroethane 40.04
    2-aminoethanol 8.61
    morpholine-4-carbaldehyde 137.03
    sulfolane 220.68
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 41.04
    n-hexyl acetate 15.45
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 33.48
    sec-butyl acetate 14.24
    tert-butyl acetate 24.47
    decalin 0.52
    glycerin 26.09
    diglyme 82.28
    acrylic acid 31.69
    isopropyl myristate 9.01
    n-butyric acid 21.6
    acetyl acetate 55.47
    di(2-ethylhexyl) phthalate 12.9
    ethyl propionate 25.5
    nitromethane 293.21
    1,2-diethoxyethane 23.2
    benzonitrile 26.58
    trioctyl phosphate 8.18
    1-bromopropane 9.62
    gamma-valerolactone 154.09
    n-decanol 4.36
    triethyl phosphate 19.42
    4-methyl-2-pentanol 2.99
    propionitrile 28.68
    vinylene carbonate 63.43
    1,1,2-trichlorotrifluoroethane 122.09
    DMS 36.93
    cumene 3.14
    2-octanol 2.55
    2-hexanone 23.25
    octyl acetate 10.83
    limonene 5.16
    1,2-dimethoxyethane 79.86
    ethyl orthosilicate 15.18
    tributyl phosphate 11.59
    diacetone alcohol 32.91
    N,N-dimethylaniline 13.2
    acrylonitrile 57.67
    aniline 13.06
    1,3-propanediol 13.38
    bromobenzene 16.64
    dibromomethane 35.74
    1,1,2,2-tetrachloroethane 88.94
    2-methyl-cyclohexyl acetate 19.79
    tetrabutyl urea 18.02
    diisobutyl methanol 3.95
    2-phenylethanol 15.12
    styrene 4.61
    dioctyl adipate 18.7
    dimethyl sulfate 140.24
    ethyl butyrate 21.01
    methyl lactate 42.12
    butyl lactate 13.47
    diethyl carbonate 20.13
    propanediol butyl ether 15.84
    triethyl orthoformate 18.15
    p-tert-butyltoluene 3.79
    methyl 4-tert-butylbenzoate 26.25
    morpholine 70.92
    tert-butylamine 3.2
    n-dodecanol 3.6
    dimethoxymethane 107.17
    ethylene carbonate 52.56
    cyrene 48.14
    2-ethoxyethyl acetate 26.74
    2-ethylhexyl acetate 14.2
    1,2,4-trichlorobenzene 28.92
    4-methylpyridine 35.35
    dibutyl ether 7.31
    2,6-dimethyl-4-heptanol 3.95
    DEF 47.17
    dimethyl isosorbide 71.05
    tetrachloroethylene 46.16
    eugenol 25.52
    triacetin 36.22
    span 80 19.33
    1,4-butanediol 7.44
    1,1-dichloroethane 36.22
    2-methyl-1-pentanol 4.93
    methyl formate 84.1
    2-methyl-1-butanol 4.19
    n-decane 0.56
    butyronitrile 16.61
    3,7-dimethyl-1-octanol 6.12
    1-chlorooctane 3.43
    1-chlorotetradecane 1.9
    n-nonane 0.44
    undecane 0.46
    tert-butylcyclohexane 0.44
    cyclooctane 0.19
    cyclopentanol 12.73
    tetrahydropyran 27.33
    tert-amyl methyl ether 6.85
    2,5,8-trioxanonane 67.96
    1-hexene 0.9
    2-isopropoxyethanol 22.38
    2,2,2-trifluoroethanol 40.37
    methyl butyrate 31.58

    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