Licorisoflavan A

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  • Identifiers

    CAS number
    129314-37-0

    Molecular formula
    C27H34O5

    SMILES
    CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C(=C(C=C3OC2)OC)CC=C(C)C)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 59.97%
    Phenolic 40.72%
    Woody 34.93%
    Sweet 32.57%
    Balsamic 29.03%
    Smoky 28.99%
    Herbal 27.82%
    Warm 24.18%
    Floral 23.57%
    Dry 22.65%

     

    Flavor
    Bitter 67.44%
    Herbal 21.41%
    Spice 21.12%
    Parsley 20.88%
    Cedarleaf 20.01%
    Lovage 19.94%
    Eugenol 18.88%
    Thymol 18.81%
    Heather 18.66%
    Outdoor 18.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    8.75 (weak base)

    Molecular weight
    438.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1005°C

    Flash point

    • 203.3 ˚C est.

  • Synonyms

    • Licorisoflavan A
    • 129314-37-0
    • JW8U2YD8JL
    • CHEBI:69083
    • RefChem:40895
    • 4-(5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • (+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan
    • 5-O-Methyllicoricidin
    • Licoriisoflavan A
    • 7-O-Methyllicoricidin
    • 4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • LicorisoflavanA
    • 7-methyllicoricidin
    • (+)-7-O-METHYLLICORICIDIN
    • UNII-JW8U2YD8JL
    • orb1682211
    • CHEMBL4635007
    • SCHEMBL26115163
    • SCHEMBL30631316
    • DTXSID40156136
    • 7-O-METHYLLICORISOFLAVAN B
    • HY-N3385
    • AKOS032949052
    • NCGC00385627-01
    • 4-[(3R)-5,7-DIMETHOXY-6-(3-METHYLBUT-2-EN-1-YL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL]-2-(3-METHYLBUT-2-EN-1-YL)BENZENE-1,3-DIOL
    • DA-54919
    • CS-0024064
    • Q27137422
    • 1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-5,7-DIMETHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-2-(3-METHYL-2-BUTEN-1-YL)-
    • 4-((3R)-3,4-DIHYDRO-5,7-DIMETHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-2-(3-METHYL-2-BUTEN-1-YL)-1,3-BENZENEDIOL
    • 4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
    • 4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
    • 4-[(R)-5,7-Dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-2-((E)-3-methyl-but-2-enyl)-benzene-1,3-diol
    • 129314-37-0

  • Applications

    Licorisoflavan A (CAS 129314-37-0) is a natural flavonoid that is primarily considered as an antioxidant and stabilizing agent in cosmetic and personal care formulations, and as a functional additive to improve the durability of coatings and polymer matrices in industrial formulations. It is also viewed as an intermediate building block in organic synthesis and is being evaluated for potential biological activities in early pharmaceutical research. Additionally, it may have potential as a natural lead compound in agrifood research and could be explored for fragrance or flavor-related applications in specialty formulations, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.55
    methanol 2.95
    isopropanol 4.25
    water 0.0
    ethyl acetate 33.45
    n-propanol 6.75
    acetone 26.46
    n-butanol 7.77
    acetonitrile 7.68
    DMF 24.81
    toluene 25.72
    isobutanol 6.07
    1,4-dioxane 53.32
    methyl acetate 24.79
    THF 129.53
    2-butanone 37.97
    n-pentanol 9.93
    sec-butanol 6.55
    n-hexane 0.96
    ethylene glycol 0.45
    NMP 51.06
    cyclohexane 1.9
    DMSO 32.85
    n-butyl acetate 21.56
    n-octanol 7.15
    chloroform 212.93
    n-propyl acetate 22.1
    acetic acid 20.29
    dichloromethane 136.97
    cyclohexanone 65.04
    propylene glycol 1.37
    isopropyl acetate 23.63
    DMAc 88.39
    2-ethoxyethanol 18.88
    isopentanol 9.25
    n-heptane 0.97
    ethyl formate 10.45
    1,2-dichloroethane 65.29
    n-hexanol 9.13
    2-methoxyethanol 14.87
    isobutyl acetate 18.24
    tetrachloromethane 14.9
    n-pentyl acetate 24.45
    transcutol 72.18
    n-heptanol 8.49
    ethylbenzene 11.3
    MIBK 20.86
    2-propoxyethanol 30.77
    tert-butanol 9.04
    MTBE 18.4
    2-butoxyethanol 24.79
    propionic acid 11.05
    o-xylene 13.01
    formic acid 2.82
    diethyl ether 18.72
    m-xylene 13.48
    p-xylene 14.81
    chlorobenzene 35.83
    dimethyl carbonate 17.0
    n-octane 0.49
    formamide 5.12
    cyclopentanone 67.67
    2-pentanone 29.87
    anisole 27.02
    cyclopentyl methyl ether 38.47
    gamma-butyrolactone 57.11
    1-methoxy-2-propanol 16.08
    pyridine 55.77
    3-pentanone 33.19
    furfural 47.44
    n-dodecane 0.48
    diethylene glycol 10.49
    diisopropyl ether 5.9
    tert-amyl alcohol 10.18
    acetylacetone 42.84
    n-hexadecane 0.6
    acetophenone 29.45
    methyl propionate 27.6
    isopentyl acetate 26.24
    trichloroethylene 172.7
    n-nonanol 8.66
    cyclohexanol 11.54
    benzyl alcohol 17.66
    2-ethylhexanol 8.95
    isooctanol 8.76
    dipropyl ether 14.7
    1,2-dichlorobenzene 34.74
    ethyl lactate 10.43
    propylene carbonate 27.38
    n-methylformamide 7.53
    2-pentanol 5.77
    n-pentane 0.75
    1-propoxy-2-propanol 22.37
    1-methoxy-2-propyl acetate 34.68
    2-(2-methoxypropoxy) propanol 27.71
    mesitylene 6.89
    ε-caprolactone 51.28
    p-cymene 7.21
    epichlorohydrin 103.98
    1,1,1-trichloroethane 68.56
    2-aminoethanol 1.8
    morpholine-4-carbaldehyde 54.46
    sulfolane 69.17
    2,2,4-trimethylpentane 0.96
    2-methyltetrahydrofuran 54.51
    n-hexyl acetate 25.73
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 33.01
    sec-butyl acetate 18.92
    tert-butyl acetate 27.23
    decalin 1.64
    glycerin 2.8
    diglyme 71.61
    acrylic acid 10.06
    isopropyl myristate 11.17
    n-butyric acid 20.26
    acetyl acetate 30.56
    di(2-ethylhexyl) phthalate 14.15
    ethyl propionate 22.2
    nitromethane 39.36
    1,2-diethoxyethane 31.24
    benzonitrile 17.78
    trioctyl phosphate 9.07
    1-bromopropane 29.31
    gamma-valerolactone 96.16
    n-decanol 5.86
    triethyl phosphate 15.27
    4-methyl-2-pentanol 5.76
    propionitrile 10.22
    vinylene carbonate 27.19
    1,1,2-trichlorotrifluoroethane 61.52
    DMS 24.08
    cumene 7.47
    2-octanol 5.6
    2-hexanone 27.02
    octyl acetate 13.91
    limonene 9.11
    1,2-dimethoxyethane 46.14
    ethyl orthosilicate 15.87
    tributyl phosphate 10.83
    diacetone alcohol 24.52
    N,N-dimethylaniline 18.64
    acrylonitrile 12.1
    aniline 20.57
    1,3-propanediol 4.61
    bromobenzene 45.43
    dibromomethane 79.03
    1,1,2,2-tetrachloroethane 136.57
    2-methyl-cyclohexyl acetate 24.78
    tetrabutyl urea 15.45
    diisobutyl methanol 6.04
    2-phenylethanol 21.72
    styrene 13.45
    dioctyl adipate 19.09
    dimethyl sulfate 27.71
    ethyl butyrate 20.28
    methyl lactate 10.19
    butyl lactate 16.04
    diethyl carbonate 14.68
    propanediol butyl ether 13.74
    triethyl orthoformate 20.42
    p-tert-butyltoluene 7.04
    methyl 4-tert-butylbenzoate 29.9
    morpholine 53.94
    tert-butylamine 4.99
    n-dodecanol 4.11
    dimethoxymethane 34.08
    ethylene carbonate 23.28
    cyrene 33.91
    2-ethoxyethyl acetate 38.29
    2-ethylhexyl acetate 21.69
    1,2,4-trichlorobenzene 49.51
    4-methylpyridine 44.57
    dibutyl ether 11.79
    2,6-dimethyl-4-heptanol 6.04
    DEF 33.65
    dimethyl isosorbide 58.51
    tetrachloroethylene 66.29
    eugenol 26.52
    triacetin 32.09
    span 80 21.51
    1,4-butanediol 2.43
    1,1-dichloroethane 57.01
    2-methyl-1-pentanol 11.87
    methyl formate 7.66
    2-methyl-1-butanol 9.04
    n-decane 0.99
    butyronitrile 10.19
    3,7-dimethyl-1-octanol 8.78
    1-chlorooctane 5.9
    1-chlorotetradecane 2.26
    n-nonane 0.77
    undecane 0.65
    tert-butylcyclohexane 1.45
    cyclooctane 0.82
    cyclopentanol 12.27
    tetrahydropyran 49.81
    tert-amyl methyl ether 15.89
    2,5,8-trioxanonane 49.56
    1-hexene 4.93
    2-isopropoxyethanol 18.29
    2,2,2-trifluoroethanol 7.14
    methyl butyrate 25.07

    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