Phaseol

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  • Identifiers

    CAS number
    88478-02-8

    Molecular formula
    C20H16O5

    SMILES
    CC(=CCC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.46%
    Fruity 35.62%
    Spicy 33.94%
    Burnt 29.0%
    Odorless 26.43%
    Animal 25.99%
    Dry 24.71%
    Woody 24.57%
    Medicinal 24.44%
    Smoky 24.39%

     

    Flavor
    Bitter 95.49%
    Cedarleaf 19.71%
    Parsley 19.07%
    Lovage 18.99%
    Nitrile 18.56%
    Odorless 18.42%
    Very strong 18.4%
    Ripe apricot 18.0%
    Indole 17.95%
    Sweet-like 17.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.71 (weak base)

    Molecular weight
    336.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    729°C

    Flash point

    • 256.49 ˚C est.

  • Synonyms

    • Phaseol
    • 3,9-Dihydroxy-4-prenylcoumestan
    • RefChem:1094657
    • 3,9-dihydroxy-4-(3-methylbut-2-enyl)-(1)benzofuro(3,2-c)chromen-6-one
    • CHEMBL2437362
    • SCHEMBL15383650
    • SCHEMBL29497159
    • CHEBI:175277
    • DTXSID401138167
    • LMPK12090010
    • 88478-02-8
    • 3,9-dihydroxy-4-(3-methylbut-2-enyl)-[1]benzouro[3,2-c]chromen-6-one
    • 3,9-Dihydroxy-4-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-6-one
    • 3,9-Dihydroxy-4-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one, 9CI
    • 3,9-Dihydroxy-4-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
    • 88478-02-8

  • Applications

    Phaseol (CAS 88478-02-8) is primarily used as an intermediate in organic synthesis and can function as a solvent or co-solvent in various industrial formulations. It is sometimes employed as a processing aid in coatings, inks, and adhesives, assisting mixing and film formation. In perfumery and cosmetics, Phaseol may act as an odorant or fragrance fixative component, contributing to fragrance profiles when formulated under appropriate regulations. It can also function as a plasticizer or stabilizer in certain polymer systems, improving flexibility and long-term performance. Additional applications may include cleaning formulations as a solvent or ingredient, with use typically evaluated on a case-by-case basis and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.04
    methanol 5.97
    isopropanol 5.46
    water 0.01
    ethyl acetate 11.41
    n-propanol 7.26
    acetone 29.57
    n-butanol 6.68
    acetonitrile 6.03
    DMF 129.07
    toluene 3.85
    isobutanol 5.8
    1,4-dioxane 34.55
    methyl acetate 21.44
    THF 108.09
    2-butanone 37.15
    n-pentanol 5.11
    sec-butanol 6.34
    n-hexane 0.04
    ethylene glycol 4.88
    NMP 92.88
    cyclohexane 0.11
    DMSO 142.01
    n-butyl acetate 11.21
    n-octanol 3.16
    chloroform 14.35
    n-propyl acetate 11.38
    acetic acid 22.44
    dichloromethane 13.67
    cyclohexanone 47.09
    propylene glycol 9.82
    isopropyl acetate 9.88
    DMAc 188.92
    2-ethoxyethanol 28.28
    isopentanol 7.61
    n-heptane 0.06
    ethyl formate 8.27
    1,2-dichloroethane 11.85
    n-hexanol 4.42
    2-methoxyethanol 65.1
    isobutyl acetate 9.16
    tetrachloromethane 0.61
    n-pentyl acetate 10.89
    transcutol 112.04
    n-heptanol 4.0
    ethylbenzene 1.68
    MIBK 12.1
    2-propoxyethanol 39.89
    tert-butanol 7.61
    MTBE 5.58
    2-butoxyethanol 22.33
    propionic acid 14.52
    o-xylene 2.26
    formic acid 7.84
    diethyl ether 3.77
    m-xylene 2.01
    p-xylene 2.92
    chlorobenzene 4.92
    dimethyl carbonate 20.23
    n-octane 0.05
    formamide 17.78
    cyclopentanone 78.15
    2-pentanone 17.75
    anisole 10.56
    cyclopentyl methyl ether 15.08
    gamma-butyrolactone 70.48
    1-methoxy-2-propanol 51.42
    pyridine 38.24
    3-pentanone 14.45
    furfural 49.52
    n-dodecane 0.12
    diethylene glycol 36.48
    diisopropyl ether 1.09
    tert-amyl alcohol 7.76
    acetylacetone 31.81
    n-hexadecane 0.15
    acetophenone 17.55
    methyl propionate 20.8
    isopentyl acetate 13.25
    trichloroethylene 38.82
    n-nonanol 4.08
    cyclohexanol 7.59
    benzyl alcohol 14.02
    2-ethylhexanol 3.64
    isooctanol 4.1
    dipropyl ether 3.94
    1,2-dichlorobenzene 4.88
    ethyl lactate 13.9
    propylene carbonate 26.52
    n-methylformamide 25.68
    2-pentanol 3.89
    n-pentane 0.04
    1-propoxy-2-propanol 25.9
    1-methoxy-2-propyl acetate 28.65
    2-(2-methoxypropoxy) propanol 33.33
    mesitylene 1.02
    ε-caprolactone 38.82
    p-cymene 1.85
    epichlorohydrin 88.81
    1,1,1-trichloroethane 5.66
    2-aminoethanol 9.95
    morpholine-4-carbaldehyde 106.18
    sulfolane 116.78
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 27.29
    n-hexyl acetate 11.21
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 40.64
    sec-butyl acetate 8.94
    tert-butyl acetate 13.14
    decalin 0.15
    glycerin 28.06
    diglyme 70.1
    acrylic acid 19.18
    isopropyl myristate 5.88
    n-butyric acid 15.25
    acetyl acetate 10.18
    di(2-ethylhexyl) phthalate 10.12
    ethyl propionate 11.32
    nitromethane 56.01
    1,2-diethoxyethane 19.94
    benzonitrile 11.0
    trioctyl phosphate 6.42
    1-bromopropane 3.19
    gamma-valerolactone 133.93
    n-decanol 3.26
    triethyl phosphate 7.92
    4-methyl-2-pentanol 3.26
    propionitrile 7.57
    vinylene carbonate 24.2
    1,1,2-trichlorotrifluoroethane 67.27
    DMS 21.47
    cumene 1.3
    2-octanol 2.53
    2-hexanone 14.99
    octyl acetate 7.8
    limonene 2.38
    1,2-dimethoxyethane 48.92
    ethyl orthosilicate 7.02
    tributyl phosphate 7.9
    diacetone alcohol 32.48
    N,N-dimethylaniline 7.43
    acrylonitrile 14.83
    aniline 12.59
    1,3-propanediol 19.05
    bromobenzene 4.01
    dibromomethane 5.1
    1,1,2,2-tetrachloroethane 28.55
    2-methyl-cyclohexyl acetate 12.12
    tetrabutyl urea 12.52
    diisobutyl methanol 2.72
    2-phenylethanol 14.54
    styrene 2.22
    dioctyl adipate 12.17
    dimethyl sulfate 38.86
    ethyl butyrate 8.96
    methyl lactate 28.68
    butyl lactate 15.43
    diethyl carbonate 7.19
    propanediol butyl ether 20.97
    triethyl orthoformate 9.41
    p-tert-butyltoluene 1.8
    methyl 4-tert-butylbenzoate 18.28
    morpholine 52.96
    tert-butylamine 2.28
    n-dodecanol 2.55
    dimethoxymethane 59.5
    ethylene carbonate 17.91
    cyrene 35.96
    2-ethoxyethyl acetate 25.57
    2-ethylhexyl acetate 9.72
    1,2,4-trichlorobenzene 9.71
    4-methylpyridine 26.93
    dibutyl ether 3.99
    2,6-dimethyl-4-heptanol 2.72
    DEF 30.73
    dimethyl isosorbide 49.75
    tetrachloroethylene 10.56
    eugenol 22.02
    triacetin 23.36
    span 80 22.31
    1,4-butanediol 5.71
    1,1-dichloroethane 6.35
    2-methyl-1-pentanol 6.3
    methyl formate 19.54
    2-methyl-1-butanol 7.31
    n-decane 0.15
    butyronitrile 6.03
    3,7-dimethyl-1-octanol 4.52
    1-chlorooctane 1.1
    1-chlorotetradecane 0.7
    n-nonane 0.1
    undecane 0.14
    tert-butylcyclohexane 0.12
    cyclooctane 0.04
    cyclopentanol 9.91
    tetrahydropyran 17.78
    tert-amyl methyl ether 5.81
    2,5,8-trioxanonane 55.06
    1-hexene 0.43
    2-isopropoxyethanol 19.07
    2,2,2-trifluoroethanol 7.82
    methyl butyrate 15.67

    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