Honyudisin

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  • Identifiers

    CAS number
    114542-45-9

    Molecular formula
    C19H20O4

    SMILES
    CC(=CCC1=C2C(=C3C(=C1O)C=CC(=O)O3)C=CC(O2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 41.07%
    Herbal 40.37%
    Fruity 36.68%
    Sweet 35.13%
    Phenolic 34.9%
    Woody 32.5%
    Mint 27.8%
    Dry 27.07%
    Tobacco 25.41%
    Animal 22.73%

     

    Flavor
    Bitter 82.35%
    Parsley 19.89%
    Cedarleaf 19.67%
    Lovage 19.57%
    Ripe apricot 18.65%
    Red fruit 18.64%
    Heather 18.27%
    Basil 18.26%
    Broom 17.99%
    Genet 17.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.51 (weak base)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    607°C

    Melting point expt.

    • 179 - 180 °C

    Flash point

    • 205.02 ˚C est.

  • Synonyms

    • honyudisin
    • CHEBI:174996
    • DTXSID801126205
    • 114542-45-9
    • 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-]chromen-2-one
    • 2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-
    • 5-Hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI
    • 5-Hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
    • 114542-45-9

  • Applications

    Honyudisin (CAS 114542-45-9) is evaluated for several practical applications, including as an odorant/fragrance ingredient in perfumery and cosmetics; as a solvent or processing aid in household and cleaning products; as an intermediate or additive in industrial manufacturing and polymer/plastics formulations; as an additive for coatings and inks; and may be considered for pharmaceutical development under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.82
    methanol 21.55
    isopropanol 17.48
    water 0.02
    ethyl acetate 49.37
    n-propanol 23.14
    acetone 83.61
    n-butanol 19.9
    acetonitrile 36.32
    DMF 370.31
    toluene 18.11
    isobutanol 21.25
    1,4-dioxane 91.3
    methyl acetate 75.02
    THF 219.26
    2-butanone 85.09
    n-pentanol 19.2
    sec-butanol 18.06
    n-hexane 0.57
    ethylene glycol 12.78
    NMP 334.96
    cyclohexane 1.04
    DMSO 223.55
    n-butyl acetate 58.9
    n-octanol 19.36
    chloroform 161.42
    n-propyl acetate 50.43
    acetic acid 76.97
    dichloromethane 136.42
    cyclohexanone 123.05
    propylene glycol 26.16
    isopropyl acetate 41.22
    DMAc 391.3
    2-ethoxyethanol 59.88
    isopentanol 24.4
    n-heptane 0.69
    ethyl formate 40.29
    1,2-dichloroethane 88.92
    n-hexanol 23.17
    2-methoxyethanol 114.45
    isobutyl acetate 45.87
    tetrachloromethane 7.06
    n-pentyl acetate 51.04
    transcutol 294.4
    n-heptanol 19.14
    ethylbenzene 11.2
    MIBK 43.15
    2-propoxyethanol 102.98
    tert-butanol 24.8
    MTBE 22.52
    2-butoxyethanol 63.14
    propionic acid 52.56
    o-xylene 13.39
    formic acid 27.86
    diethyl ether 16.81
    m-xylene 14.84
    p-xylene 19.57
    chlorobenzene 43.05
    dimethyl carbonate 75.35
    n-octane 0.56
    formamide 48.86
    cyclopentanone 212.81
    2-pentanone 55.77
    anisole 44.0
    cyclopentyl methyl ether 63.89
    gamma-butyrolactone 235.84
    1-methoxy-2-propanol 97.14
    pyridine 98.78
    3-pentanone 46.65
    furfural 178.75
    n-dodecane 1.02
    diethylene glycol 90.91
    diisopropyl ether 7.34
    tert-amyl alcohol 22.51
    acetylacetone 94.32
    n-hexadecane 1.21
    acetophenone 63.37
    methyl propionate 76.89
    isopentyl acetate 62.44
    trichloroethylene 249.46
    n-nonanol 20.8
    cyclohexanol 26.41
    benzyl alcohol 43.74
    2-ethylhexanol 20.49
    isooctanol 18.79
    dipropyl ether 18.75
    1,2-dichlorobenzene 48.7
    ethyl lactate 43.93
    propylene carbonate 122.9
    n-methylformamide 95.54
    2-pentanol 13.24
    n-pentane 0.42
    1-propoxy-2-propanol 69.09
    1-methoxy-2-propyl acetate 98.8
    2-(2-methoxypropoxy) propanol 93.17
    mesitylene 8.85
    ε-caprolactone 124.15
    p-cymene 12.39
    epichlorohydrin 265.78
    1,1,1-trichloroethane 58.57
    2-aminoethanol 24.48
    morpholine-4-carbaldehyde 303.9
    sulfolane 306.98
    2,2,4-trimethylpentane 0.92
    2-methyltetrahydrofuran 94.27
    n-hexyl acetate 65.37
    isooctane 0.68
    2-(2-butoxyethoxy)ethanol 108.19
    sec-butyl acetate 37.65
    tert-butyl acetate 51.57
    decalin 1.78
    glycerin 54.66
    diglyme 178.05
    acrylic acid 63.05
    isopropyl myristate 29.06
    n-butyric acid 58.22
    acetyl acetate 46.42
    di(2-ethylhexyl) phthalate 43.36
    ethyl propionate 45.96
    nitromethane 176.31
    1,2-diethoxyethane 66.02
    benzonitrile 56.0
    trioctyl phosphate 29.07
    1-bromopropane 24.18
    gamma-valerolactone 299.07
    n-decanol 16.08
    triethyl phosphate 33.92
    4-methyl-2-pentanol 13.47
    propionitrile 33.57
    vinylene carbonate 116.58
    1,1,2-trichlorotrifluoroethane 188.5
    DMS 100.86
    cumene 10.02
    2-octanol 14.0
    2-hexanone 48.42
    octyl acetate 39.87
    limonene 15.24
    1,2-dimethoxyethane 113.51
    ethyl orthosilicate 30.62
    tributyl phosphate 35.5
    diacetone alcohol 71.85
    N,N-dimethylaniline 37.56
    acrylonitrile 59.08
    aniline 39.59
    1,3-propanediol 37.41
    bromobenzene 40.42
    dibromomethane 64.17
    1,1,2,2-tetrachloroethane 179.47
    2-methyl-cyclohexyl acetate 51.7
    tetrabutyl urea 49.17
    diisobutyl methanol 13.01
    2-phenylethanol 51.07
    styrene 14.11
    dioctyl adipate 52.44
    dimethyl sulfate 148.4
    ethyl butyrate 42.04
    methyl lactate 77.98
    butyl lactate 54.36
    diethyl carbonate 34.99
    propanediol butyl ether 69.45
    triethyl orthoformate 38.5
    p-tert-butyltoluene 11.95
    methyl 4-tert-butylbenzoate 72.02
    morpholine 132.12
    tert-butylamine 10.08
    n-dodecanol 12.36
    dimethoxymethane 150.89
    ethylene carbonate 86.11
    cyrene 101.85
    2-ethoxyethyl acetate 88.48
    2-ethylhexyl acetate 51.33
    1,2,4-trichlorobenzene 71.94
    4-methylpyridine 101.83
    dibutyl ether 20.72
    2,6-dimethyl-4-heptanol 13.01
    DEF 95.02
    dimethyl isosorbide 157.55
    tetrachloroethylene 77.95
    eugenol 71.48
    triacetin 94.26
    span 80 70.09
    1,4-butanediol 15.83
    1,1-dichloroethane 64.23
    2-methyl-1-pentanol 23.75
    methyl formate 82.19
    2-methyl-1-butanol 22.47
    n-decane 1.4
    butyronitrile 31.11
    3,7-dimethyl-1-octanol 22.39
    1-chlorooctane 9.73
    1-chlorotetradecane 5.08
    n-nonane 1.05
    undecane 1.2
    tert-butylcyclohexane 1.58
    cyclooctane 0.47
    cyclopentanol 40.83
    tetrahydropyran 57.98
    tert-amyl methyl ether 21.09
    2,5,8-trioxanonane 141.53
    1-hexene 3.89
    2-isopropoxyethanol 49.12
    2,2,2-trifluoroethanol 33.08
    methyl butyrate 61.83

    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