Licofuranone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    161099-38-3

    Molecular formula
    C20H20O6

    SMILES
    CC(=CCC1=C(C(=C(C=C1O)O)C2C(=O)C3=C(O2)C=C(C=C3)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.94%
    Spicy 46.4%
    Sweet 36.21%
    Woody 31.9%
    Odorless 29.87%
    Smoky 28.72%
    Balsamic 25.26%
    Medicinal 23.52%
    Dry 23.12%
    Burnt 22.8%

     

    Flavor
    Bitter 92.06%
    Bland 22.97%
    Odorless 20.29%
    Cedarleaf 20.24%
    Parsley 20.07%
    Lovage 19.82%
    Sweet-like 18.66%
    Ripe apricot 18.19%
    Red fruit 18.17%
    Heather 18.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.25 (weak base)

    Molecular weight
    356.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    759°C

    Melting point expt.

    • 162 °C

    Flash point

    • 227.05 ˚C est.

  • Synonyms

    • Licofuranone
    • 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-hydroxy-1-benzofuran-3-one
    • 2-(4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl)-6-hydroxy-1-benzofuran-3-one
    • RefChem:924739
    • 161099-38-3
    • SCHEMBL29377620
    • CHEBI:175572
    • DTXSID901123828
    • 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-hydroxy-1-benzouran-3-one
    • 3(2H)-Benzofuranone, 2-[4,6-dihydroxy-2-methoxy-3-(3-methyl-2-butenyl)phenyl]-6-hydroxy-
    • 2-[4,6-Dihydroxy-2-methoxy-3-(3-methyl-2-butenyl)phenyl]-6-hydroxy-3(2H)-benzofuranone, 9CI
    • 2-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-hydroxy-1-benzofuran-3(2H)-one
    • 161099-38-3

  • Applications

    Licofuranone (CAS 161099-38-3) is primarily used as an odorant in perfumery and cosmetics, where it serves as a fragrance ingredient and can function as a light fixative to help stabilize aroma profiles. It also acts as an intermediate in the industrial synthesis of fragrance compounds for specialty chemicals. The compound may be evaluated for use as a flavor/aroma additive in controlled applications, and it can be incorporated into household products such as cleaners and air fresheners to contribute a specific aroma note. In industrial manufacturing, Licofuranone can serve as a building block for developing new fragrance materials and aroma formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.01
    methanol 22.95
    isopropanol 16.77
    water 0.06
    ethyl acetate 34.02
    n-propanol 15.84
    acetone 114.68
    n-butanol 12.66
    acetonitrile 42.14
    DMF 263.04
    toluene 2.58
    isobutanol 11.22
    1,4-dioxane 82.01
    methyl acetate 57.45
    THF 296.72
    2-butanone 64.24
    n-pentanol 10.87
    sec-butanol 10.79
    n-hexane 0.13
    ethylene glycol 22.64
    NMP 177.3
    cyclohexane 0.3
    DMSO 549.62
    n-butyl acetate 20.64
    n-octanol 9.31
    chloroform 36.6
    n-propyl acetate 23.47
    acetic acid 103.07
    dichloromethane 22.94
    cyclohexanone 76.72
    propylene glycol 36.8
    isopropyl acetate 23.61
    DMAc 310.22
    2-ethoxyethanol 64.49
    isopentanol 13.38
    n-heptane 0.18
    ethyl formate 26.36
    1,2-dichloroethane 21.91
    n-hexanol 8.07
    2-methoxyethanol 157.58
    isobutyl acetate 17.77
    tetrachloromethane 2.8
    n-pentyl acetate 16.13
    transcutol 162.2
    n-heptanol 8.83
    ethylbenzene 2.03
    MIBK 25.68
    2-propoxyethanol 89.58
    tert-butanol 30.85
    MTBE 10.28
    2-butoxyethanol 41.54
    propionic acid 35.43
    o-xylene 2.46
    formic acid 54.36
    diethyl ether 8.08
    m-xylene 2.49
    p-xylene 3.9
    chlorobenzene 7.13
    dimethyl carbonate 62.04
    n-octane 0.15
    formamide 86.61
    cyclopentanone 161.95
    2-pentanone 40.05
    anisole 15.36
    cyclopentyl methyl ether 27.31
    gamma-butyrolactone 180.98
    1-methoxy-2-propanol 121.32
    pyridine 39.66
    3-pentanone 29.02
    furfural 86.41
    n-dodecane 0.33
    diethylene glycol 110.38
    diisopropyl ether 2.54
    tert-amyl alcohol 15.94
    acetylacetone 94.02
    n-hexadecane 0.4
    acetophenone 27.44
    methyl propionate 49.75
    isopentyl acetate 22.35
    trichloroethylene 60.82
    n-nonanol 9.81
    cyclohexanol 14.11
    benzyl alcohol 20.71
    2-ethylhexanol 6.26
    isooctanol 8.44
    dipropyl ether 8.27
    1,2-dichlorobenzene 8.77
    ethyl lactate 32.88
    propylene carbonate 61.84
    n-methylformamide 86.24
    2-pentanol 7.3
    n-pentane 0.1
    1-propoxy-2-propanol 54.58
    1-methoxy-2-propyl acetate 53.38
    2-(2-methoxypropoxy) propanol 55.51
    mesitylene 1.86
    ε-caprolactone 64.57
    p-cymene 2.78
    epichlorohydrin 161.15
    1,1,1-trichloroethane 20.94
    2-aminoethanol 30.25
    morpholine-4-carbaldehyde 165.5
    sulfolane 248.36
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 51.28
    n-hexyl acetate 21.31
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 71.59
    sec-butyl acetate 15.69
    tert-butyl acetate 29.2
    decalin 0.32
    glycerin 101.87
    diglyme 118.09
    acrylic acid 44.33
    isopropyl myristate 10.41
    n-butyric acid 42.13
    acetyl acetate 34.01
    di(2-ethylhexyl) phthalate 14.56
    ethyl propionate 23.28
    nitromethane 272.2
    1,2-diethoxyethane 30.97
    benzonitrile 20.34
    trioctyl phosphate 11.92
    1-bromopropane 5.64
    gamma-valerolactone 199.45
    n-decanol 7.44
    triethyl phosphate 15.15
    4-methyl-2-pentanol 7.31
    propionitrile 29.86
    vinylene carbonate 50.37
    1,1,2-trichlorotrifluoroethane 145.68
    DMS 37.1
    cumene 1.88
    2-octanol 6.03
    2-hexanone 27.39
    octyl acetate 14.01
    limonene 3.38
    1,2-dimethoxyethane 104.15
    ethyl orthosilicate 12.84
    tributyl phosphate 14.48
    diacetone alcohol 71.06
    N,N-dimethylaniline 12.22
    acrylonitrile 50.96
    aniline 11.57
    1,3-propanediol 50.1
    bromobenzene 5.63
    dibromomethane 10.38
    1,1,2,2-tetrachloroethane 58.56
    2-methyl-cyclohexyl acetate 19.83
    tetrabutyl urea 22.8
    diisobutyl methanol 5.61
    2-phenylethanol 21.24
    styrene 2.38
    dioctyl adipate 19.22
    dimethyl sulfate 113.8
    ethyl butyrate 16.84
    methyl lactate 74.18
    butyl lactate 26.33
    diethyl carbonate 14.5
    propanediol butyl ether 44.19
    triethyl orthoformate 17.36
    p-tert-butyltoluene 2.83
    methyl 4-tert-butylbenzoate 29.71
    morpholine 104.07
    tert-butylamine 6.43
    n-dodecanol 5.61
    dimethoxymethane 145.21
    ethylene carbonate 45.58
    cyrene 68.37
    2-ethoxyethyl acetate 32.8
    2-ethylhexyl acetate 15.34
    1,2,4-trichlorobenzene 16.15
    4-methylpyridine 30.38
    dibutyl ether 8.07
    2,6-dimethyl-4-heptanol 5.61
    DEF 52.26
    dimethyl isosorbide 94.52
    tetrachloroethylene 22.07
    eugenol 33.75
    triacetin 40.58
    span 80 36.3
    1,4-butanediol 19.52
    1,1-dichloroethane 18.91
    2-methyl-1-pentanol 10.83
    methyl formate 83.12
    2-methyl-1-butanol 10.18
    n-decane 0.47
    butyronitrile 20.05
    3,7-dimethyl-1-octanol 9.59
    1-chlorooctane 2.97
    1-chlorotetradecane 1.55
    n-nonane 0.33
    undecane 0.39
    tert-butylcyclohexane 0.28
    cyclooctane 0.12
    cyclopentanol 28.57
    tetrahydropyran 32.37
    tert-amyl methyl ether 8.97
    2,5,8-trioxanonane 98.4
    1-hexene 0.83
    2-isopropoxyethanol 42.84
    2,2,2-trifluoroethanol 44.69
    methyl butyrate 30.66

    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