Licoagrocarpin

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  • Identifiers

    CAS number
    202815-29-0

    Molecular formula
    C21H22O4

    SMILES
    CC(=CCC1=C(C=CC2=C1OC[C@@H]3[C@H]2OC4=C3C=CC(=C4)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 58.95%
    Sweet 49.06%
    Phenolic 42.14%
    Balsamic 27.94%
    Smoky 27.19%
    Herbal 25.82%
    Vanilla 24.59%
    Warm 23.81%
    Woody 23.01%
    Powdery 22.58%

     

    Flavor
    Bitter 87.12%
    Parsley 20.0%
    Cedarleaf 19.91%
    Lovage 19.35%
    Eugenol 17.87%
    Ripe apricot 17.85%
    Bland 17.8%
    Sweet-like 17.67%
    Red fruit 17.58%
    Basil 17.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.16 (weak base)

    Molecular weight
    338.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    748°C

    Flash point

    • 213.56 ˚C est.

  • Synonyms

    • LICOAGROCARPIN
    • RefChem:1088453
    • (6aR,11aR)-9-methoxy-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromen-3-ol
    • CHEMBL2437361
    • SCHEMBL30999862
    • SCHEMBL30999863
    • CHEBI:174544
    • DTXSID801114339
    • 202815-29-0
    • (6aR,11aR)-6a,11a-Dihydro-9-methoxy-4-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3-ol
    • (6aR,11aR)-9-Methoxy-4-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3-ol
    • (6aR,11aR)-9-methoxy-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-ol
    • 202815-29-0

  • Applications

    Licoagrocarpin, CAS 202815-29-0, may have several practical uses across industries. It is commonly considered an odorant/fragrance component in perfumery and personal care products. It may be evaluated for use as a cosmetic ingredient, serving as a fragrance carrier or component in formulations. It can function as a processing aid or solvent in industrial manufacturing. In the polymers/plastics sector, it may be used as a processing additive or minor stabilizer. In coatings and inks, it may be used as an additive or solvent component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.99
    methanol 12.16
    isopropanol 11.88
    water 0.04
    ethyl acetate 74.99
    n-propanol 13.11
    acetone 62.31
    n-butanol 15.81
    acetonitrile 28.8
    DMF 47.72
    toluene 38.0
    isobutanol 11.91
    1,4-dioxane 164.16
    methyl acetate 59.25
    THF 185.5
    2-butanone 59.03
    n-pentanol 14.83
    sec-butanol 7.91
    n-hexane 0.45
    ethylene glycol 6.06
    NMP 44.86
    cyclohexane 2.55
    DMSO 83.47
    n-butyl acetate 45.93
    n-octanol 11.93
    chloroform 311.26
    n-propyl acetate 44.64
    acetic acid 65.74
    dichloromethane 225.87
    cyclohexanone 101.21
    propylene glycol 6.77
    isopropyl acetate 57.38
    DMAc 136.13
    2-ethoxyethanol 58.35
    isopentanol 22.65
    n-heptane 1.11
    ethyl formate 36.48
    1,2-dichloroethane 119.19
    n-hexanol 18.01
    2-methoxyethanol 74.45
    isobutyl acetate 42.13
    tetrachloromethane 17.75
    n-pentyl acetate 35.93
    transcutol 303.38
    n-heptanol 14.69
    ethylbenzene 13.15
    MIBK 49.04
    2-propoxyethanol 82.67
    tert-butanol 21.27
    MTBE 22.87
    2-butoxyethanol 51.59
    propionic acid 26.19
    o-xylene 18.0
    formic acid 17.65
    diethyl ether 31.18
    m-xylene 21.32
    p-xylene 20.9
    chlorobenzene 55.45
    dimethyl carbonate 57.37
    n-octane 0.7
    formamide 29.28
    cyclopentanone 92.77
    2-pentanone 51.87
    anisole 46.1
    cyclopentyl methyl ether 51.33
    gamma-butyrolactone 102.65
    1-methoxy-2-propanol 56.06
    pyridine 99.61
    3-pentanone 49.58
    furfural 110.94
    n-dodecane 1.23
    diethylene glycol 71.93
    diisopropyl ether 11.3
    tert-amyl alcohol 11.84
    acetylacetone 108.26
    n-hexadecane 1.51
    acetophenone 54.57
    methyl propionate 53.5
    isopentyl acetate 54.62
    trichloroethylene 289.32
    n-nonanol 15.01
    cyclohexanol 22.15
    benzyl alcohol 40.52
    2-ethylhexanol 15.87
    isooctanol 15.59
    dipropyl ether 21.45
    1,2-dichlorobenzene 57.18
    ethyl lactate 29.44
    propylene carbonate 65.46
    n-methylformamide 21.37
    2-pentanol 9.81
    n-pentane 0.56
    1-propoxy-2-propanol 49.69
    1-methoxy-2-propyl acetate 93.27
    2-(2-methoxypropoxy) propanol 71.07
    mesitylene 12.17
    ε-caprolactone 80.42
    p-cymene 13.32
    epichlorohydrin 179.18
    1,1,1-trichloroethane 96.47
    2-aminoethanol 9.67
    morpholine-4-carbaldehyde 118.84
    sulfolane 100.48
    2,2,4-trimethylpentane 0.91
    2-methyltetrahydrofuran 63.07
    n-hexyl acetate 42.04
    isooctane 0.84
    2-(2-butoxyethoxy)ethanol 92.88
    sec-butyl acetate 38.18
    tert-butyl acetate 60.1
    decalin 2.0
    glycerin 23.73
    diglyme 198.2
    acrylic acid 31.8
    isopropyl myristate 24.9
    n-butyric acid 52.49
    acetyl acetate 92.61
    di(2-ethylhexyl) phthalate 28.93
    ethyl propionate 43.12
    nitromethane 121.63
    1,2-diethoxyethane 86.44
    benzonitrile 49.09
    trioctyl phosphate 19.35
    1-bromopropane 34.45
    gamma-valerolactone 160.75
    n-decanol 11.9
    triethyl phosphate 32.38
    4-methyl-2-pentanol 12.58
    propionitrile 30.13
    vinylene carbonate 76.65
    1,1,2-trichlorotrifluoroethane 138.38
    DMS 64.92
    cumene 10.36
    2-octanol 8.59
    2-hexanone 40.29
    octyl acetate 28.8
    limonene 14.34
    1,2-dimethoxyethane 117.17
    ethyl orthosilicate 31.47
    tributyl phosphate 24.78
    diacetone alcohol 60.32
    N,N-dimethylaniline 26.82
    acrylonitrile 42.69
    aniline 43.49
    1,3-propanediol 29.8
    bromobenzene 63.52
    dibromomethane 110.01
    1,1,2,2-tetrachloroethane 199.35
    2-methyl-cyclohexyl acetate 45.09
    tetrabutyl urea 31.95
    diisobutyl methanol 13.39
    2-phenylethanol 46.61
    styrene 17.42
    dioctyl adipate 41.82
    dimethyl sulfate 72.37
    ethyl butyrate 41.52
    methyl lactate 37.89
    butyl lactate 31.72
    diethyl carbonate 38.24
    propanediol butyl ether 34.35
    triethyl orthoformate 41.01
    p-tert-butyltoluene 12.08
    methyl 4-tert-butylbenzoate 51.15
    morpholine 117.44
    tert-butylamine 9.34
    n-dodecanol 9.72
    dimethoxymethane 100.47
    ethylene carbonate 69.41
    cyrene 62.45
    2-ethoxyethyl acetate 79.26
    2-ethylhexyl acetate 41.73
    1,2,4-trichlorobenzene 72.58
    4-methylpyridine 75.65
    dibutyl ether 21.59
    2,6-dimethyl-4-heptanol 13.39
    DEF 50.77
    dimethyl isosorbide 111.95
    tetrachloroethylene 113.7
    eugenol 51.93
    triacetin 73.09
    span 80 43.33
    1,4-butanediol 11.14
    1,1-dichloroethane 88.7
    2-methyl-1-pentanol 18.73
    methyl formate 26.48
    2-methyl-1-butanol 14.21
    n-decane 1.78
    butyronitrile 26.9
    3,7-dimethyl-1-octanol 17.54
    1-chlorooctane 9.14
    1-chlorotetradecane 4.99
    n-nonane 1.23
    undecane 1.42
    tert-butylcyclohexane 1.59
    cyclooctane 1.09
    cyclopentanol 18.91
    tetrahydropyran 78.41
    tert-amyl methyl ether 16.68
    2,5,8-trioxanonane 152.42
    1-hexene 2.89
    2-isopropoxyethanol 48.32
    2,2,2-trifluoroethanol 30.71
    methyl butyrate 46.9

    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