Licoriphenone

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  • Identifiers

    CAS number
    129280-36-0

    Molecular formula
    C21H24O6

    SMILES
    CC(=CCC1=C(C=C(C(=C1OC)CC(=O)C2=C(C=C(C=C2)O)O)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 47.2%
    Sweet 46.43%
    Phenolic 42.36%
    Woody 38.06%
    Balsamic 33.49%
    Fruity 28.83%
    Smoky 27.59%
    Dry 27.44%
    Odorless 27.34%
    Vanilla 26.88%

     

    Flavor
    Bitter 83.11%
    Odorless 26.86%
    Bland 26.63%
    Parsley 21.05%
    Cedarleaf 20.25%
    Lovage 19.99%
    Sweet-like 19.3%
    Broom 19.19%
    Heather 19.17%
    Eugenol 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    9.58 (weak base)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    565°C

    Melting point expt.

    • 136 - 138 °C

    Flash point

    • 231.06 ˚C est.

  • Synonyms

    • Licoriphenone
    • 1-(2,4-dihydroxyphenyl)-2-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one
    • 129280-36-0
    • 1-(2,4-dihydroxyphenyl)-2-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]ethanone
    • 1-(2,4-dihydroxyphenyl)-2-(6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl)ethanone
    • 1-(2,4-dihydroxyphenyl)-2-(6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl)ethan-1-one
    • RefChem:153392
    • CHEBI:175788
    • DTXSID901317477
    • 129280-36-0

  • Applications

    Licoriphenone (CAS 129280-36-0) is an aromatic ketone commonly considered an odorant and fragrance intermediate; in practice, it is typically used as a fragrance note or intermediate for fragrance synthesis, and may serve as an ingredient in cosmetics and personal care products; it can also appear in household cleaning formulations to contribute a fragrance profile; in industrial manufacturing, it may function as an intermediate in fragrance synthesis and be incorporated into coatings, inks, and adhesives where a scent is desirable; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.15
    methanol 19.81
    isopropanol 21.29
    water 0.01
    ethyl acetate 36.41
    n-propanol 27.49
    acetone 87.57
    n-butanol 18.85
    acetonitrile 19.18
    DMF 171.6
    toluene 3.05
    isobutanol 16.96
    1,4-dioxane 60.01
    methyl acetate 45.52
    THF 347.58
    2-butanone 70.26
    n-pentanol 13.9
    sec-butanol 21.0
    n-hexane 0.23
    ethylene glycol 4.57
    NMP 140.98
    cyclohexane 0.35
    DMSO 392.24
    n-butyl acetate 14.71
    n-octanol 4.7
    chloroform 59.7
    n-propyl acetate 17.56
    acetic acid 57.82
    dichloromethane 39.18
    cyclohexanone 67.43
    propylene glycol 15.52
    isopropyl acetate 21.58
    DMAc 318.93
    2-ethoxyethanol 47.02
    isopentanol 15.33
    n-heptane 0.17
    ethyl formate 16.59
    1,2-dichloroethane 30.72
    n-hexanol 9.59
    2-methoxyethanol 93.92
    isobutyl acetate 11.03
    tetrachloromethane 3.39
    n-pentyl acetate 8.51
    transcutol 74.06
    n-heptanol 5.81
    ethylbenzene 2.23
    MIBK 21.52
    2-propoxyethanol 56.7
    tert-butanol 33.67
    MTBE 17.92
    2-butoxyethanol 23.99
    propionic acid 26.5
    o-xylene 2.84
    formic acid 15.43
    diethyl ether 16.84
    m-xylene 2.31
    p-xylene 3.32
    chlorobenzene 6.67
    dimethyl carbonate 34.26
    n-octane 0.1
    formamide 29.59
    cyclopentanone 141.71
    2-pentanone 43.92
    anisole 15.26
    cyclopentyl methyl ether 34.7
    gamma-butyrolactone 127.22
    1-methoxy-2-propanol 77.05
    pyridine 30.28
    3-pentanone 33.47
    furfural 53.89
    n-dodecane 0.14
    diethylene glycol 40.98
    diisopropyl ether 2.93
    tert-amyl alcohol 25.02
    acetylacetone 62.38
    n-hexadecane 0.17
    acetophenone 20.36
    methyl propionate 48.61
    isopentyl acetate 15.12
    trichloroethylene 74.93
    n-nonanol 5.22
    cyclohexanol 16.65
    benzyl alcohol 16.21
    2-ethylhexanol 5.55
    isooctanol 5.47
    dipropyl ether 8.26
    1,2-dichlorobenzene 8.28
    ethyl lactate 17.8
    propylene carbonate 37.62
    n-methylformamide 44.99
    2-pentanol 10.41
    n-pentane 0.19
    1-propoxy-2-propanol 33.6
    1-methoxy-2-propyl acetate 35.03
    2-(2-methoxypropoxy) propanol 29.1
    mesitylene 1.52
    ε-caprolactone 52.25
    p-cymene 2.07
    epichlorohydrin 143.58
    1,1,1-trichloroethane 21.99
    2-aminoethanol 14.08
    morpholine-4-carbaldehyde 104.81
    sulfolane 189.67
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 68.13
    n-hexyl acetate 12.63
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 32.8
    sec-butyl acetate 12.25
    tert-butyl acetate 25.13
    decalin 0.35
    glycerin 29.97
    diglyme 64.35
    acrylic acid 23.61
    isopropyl myristate 5.38
    n-butyric acid 32.77
    acetyl acetate 22.62
    di(2-ethylhexyl) phthalate 8.34
    ethyl propionate 21.05
    nitromethane 134.96
    1,2-diethoxyethane 18.89
    benzonitrile 11.12
    trioctyl phosphate 5.66
    1-bromopropane 9.89
    gamma-valerolactone 132.9
    n-decanol 3.65
    triethyl phosphate 11.89
    4-methyl-2-pentanol 6.54
    propionitrile 20.9
    vinylene carbonate 29.12
    1,1,2-trichlorotrifluoroethane 103.17
    DMS 21.47
    cumene 1.92
    2-octanol 3.49
    2-hexanone 22.5
    octyl acetate 7.16
    limonene 3.04
    1,2-dimethoxyethane 78.05
    ethyl orthosilicate 10.53
    tributyl phosphate 7.35
    diacetone alcohol 46.02
    N,N-dimethylaniline 11.26
    acrylonitrile 26.1
    aniline 12.21
    1,3-propanediol 29.06
    bromobenzene 5.25
    dibromomethane 18.4
    1,1,2,2-tetrachloroethane 68.63
    2-methyl-cyclohexyl acetate 14.05
    tetrabutyl urea 11.92
    diisobutyl methanol 3.79
    2-phenylethanol 14.9
    styrene 2.54
    dioctyl adipate 11.49
    dimethyl sulfate 74.19
    ethyl butyrate 13.98
    methyl lactate 36.76
    butyl lactate 13.17
    diethyl carbonate 11.53
    propanediol butyl ether 18.39
    triethyl orthoformate 13.55
    p-tert-butyltoluene 2.13
    methyl 4-tert-butylbenzoate 20.63
    morpholine 104.15
    tert-butylamine 9.13
    n-dodecanol 2.57
    dimethoxymethane 122.14
    ethylene carbonate 26.64
    cyrene 39.74
    2-ethoxyethyl acetate 19.1
    2-ethylhexyl acetate 10.83
    1,2,4-trichlorobenzene 13.64
    4-methylpyridine 27.21
    dibutyl ether 5.21
    2,6-dimethyl-4-heptanol 3.79
    DEF 56.3
    dimethyl isosorbide 53.33
    tetrachloroethylene 31.03
    eugenol 20.54
    triacetin 20.98
    span 80 19.62
    1,4-butanediol 9.13
    1,1-dichloroethane 23.15
    2-methyl-1-pentanol 12.36
    methyl formate 32.94
    2-methyl-1-butanol 16.16
    n-decane 0.25
    butyronitrile 15.75
    3,7-dimethyl-1-octanol 5.35
    1-chlorooctane 1.94
    1-chlorotetradecane 0.76
    n-nonane 0.19
    undecane 0.18
    tert-butylcyclohexane 0.32
    cyclooctane 0.12
    cyclopentanol 28.58
    tetrahydropyran 44.41
    tert-amyl methyl ether 15.2
    2,5,8-trioxanonane 46.9
    1-hexene 1.53
    2-isopropoxyethanol 30.7
    2,2,2-trifluoroethanol 17.7
    methyl butyrate 25.88

    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