Cajanol

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  • Identifiers

    CAS number
    61020-70-0

    Molecular formula
    C17H16O6

    SMILES
    COC1=CC(=C2C(=C1)OCC(C2=O)C3=C(C=C(C=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 54.75%
    Phenolic 52.08%
    Spicy 41.6%
    Vanilla 40.94%
    Odorless 32.27%
    Balsamic 29.74%
    Woody 28.22%
    Powdery 26.88%
    Smoky 26.79%
    Creamy 26.45%

     

    Flavor
    Bitter 91.15%
    Bland 25.15%
    Odorless 20.68%
    Parsley 20.6%
    Cedarleaf 20.51%
    Lovage 20.18%
    Sweet-like 20.11%
    Ripe apricot 19.05%
    Red fruit 18.68%
    Ethyl benzoate 18.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.27 (weak base)

    Molecular weight
    316.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    686°C

    Flash point

    • 223.22 ˚C est.

  • Synonyms

    • Cajanol
    • 61020-70-0
    • U192S21MNA
    • 2,3-DIHYDRO-5-HYDROXY-3-(4-HYDROXY-2-METHOXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
    • 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
    • CHEBI:70034
    • RefChem:122679
    • UNII-U192S21MNA
    • 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • 5-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxychroman-4-one
    • DTXSID00976519
    • SCHEMBL571648
    • 5-hydroxy-3-(4-hydroxy-2-methoxy-phenyl)-7-methoxy-chroman-4-one
    • LMPK12050499
    • XC161666
    • 4',5-Dihydroxy-2',7-dimethoxyisoflavanone
    • DB-292186
    • 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7 -methoxychroman-4-one
    • 5-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-5-HYDROXY-3-(4-HYDROXY-2-METHOXYPHENYL)-7-METHOXY-
    • 61020-70-0

  • Applications

    Cajanol (CAS 61020-70-0) is primarily used as an intermediate and building block in organic synthesis, enabling the construction of more complex molecules. In industry and research, it is commonly evaluated as a scaffold for medicinal chemistry and agrochemical lead discovery, supporting structure–activity studies. It may also be explored as a specialty ingredient in cosmetics and personal care formulations or as a component in coatings and polymer research under appropriate regulatory controls. Practical use remains formulation- and regulation-dependent, so applications are typically limited to R&D and early-scale development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.47
    methanol 3.98
    isopropanol 3.07
    water 0.0
    ethyl acetate 19.24
    n-propanol 2.98
    acetone 54.46
    n-butanol 2.73
    acetonitrile 23.49
    DMF 106.66
    toluene 1.36
    isobutanol 2.7
    1,4-dioxane 34.18
    methyl acetate 25.93
    THF 165.6
    2-butanone 34.9
    n-pentanol 2.32
    sec-butanol 2.73
    n-hexane 0.05
    ethylene glycol 2.62
    NMP 79.1
    cyclohexane 0.14
    DMSO 613.8
    n-butyl acetate 10.05
    n-octanol 2.21
    chloroform 23.53
    n-propyl acetate 10.41
    acetic acid 18.0
    dichloromethane 23.55
    cyclohexanone 42.74
    propylene glycol 2.35
    isopropyl acetate 9.76
    DMAc 165.22
    2-ethoxyethanol 17.51
    isopentanol 3.58
    n-heptane 0.11
    ethyl formate 14.33
    1,2-dichloroethane 23.02
    n-hexanol 2.5
    2-methoxyethanol 37.52
    isobutyl acetate 5.32
    tetrachloromethane 1.94
    n-pentyl acetate 4.75
    transcutol 34.38
    n-heptanol 1.84
    ethylbenzene 0.98
    MIBK 10.74
    2-propoxyethanol 24.29
    tert-butanol 6.95
    MTBE 4.43
    2-butoxyethanol 9.66
    propionic acid 7.52
    o-xylene 1.41
    formic acid 8.78
    diethyl ether 4.56
    m-xylene 1.13
    p-xylene 1.63
    chlorobenzene 3.85
    dimethyl carbonate 20.43
    n-octane 0.06
    formamide 25.13
    cyclopentanone 93.02
    2-pentanone 21.47
    anisole 7.62
    cyclopentyl methyl ether 14.11
    gamma-butyrolactone 90.33
    1-methoxy-2-propanol 23.99
    pyridine 17.1
    3-pentanone 16.9
    furfural 49.74
    n-dodecane 0.11
    diethylene glycol 25.02
    diisopropyl ether 1.27
    tert-amyl alcohol 4.51
    acetylacetone 42.32
    n-hexadecane 0.13
    acetophenone 11.34
    methyl propionate 22.15
    isopentyl acetate 9.69
    trichloroethylene 48.21
    n-nonanol 2.4
    cyclohexanol 4.12
    benzyl alcohol 5.92
    2-ethylhexanol 2.53
    isooctanol 1.96
    dipropyl ether 4.33
    1,2-dichlorobenzene 5.71
    ethyl lactate 8.65
    propylene carbonate 22.09
    n-methylformamide 31.37
    2-pentanol 1.73
    n-pentane 0.05
    1-propoxy-2-propanol 14.5
    1-methoxy-2-propyl acetate 20.62
    2-(2-methoxypropoxy) propanol 17.71
    mesitylene 0.91
    ε-caprolactone 26.65
    p-cymene 1.59
    epichlorohydrin 108.68
    1,1,1-trichloroethane 13.39
    2-aminoethanol 3.44
    morpholine-4-carbaldehyde 59.81
    sulfolane 145.3
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 27.08
    n-hexyl acetate 6.71
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 16.35
    sec-butyl acetate 5.89
    tert-butyl acetate 11.89
    decalin 0.16
    glycerin 10.9
    diglyme 45.6
    acrylic acid 9.89
    isopropyl myristate 3.52
    n-butyric acid 10.03
    acetyl acetate 15.08
    di(2-ethylhexyl) phthalate 5.15
    ethyl propionate 11.4
    nitromethane 123.71
    1,2-diethoxyethane 9.68
    benzonitrile 8.66
    trioctyl phosphate 3.61
    1-bromopropane 4.45
    gamma-valerolactone 89.48
    n-decanol 1.84
    triethyl phosphate 8.78
    4-methyl-2-pentanol 1.79
    propionitrile 13.38
    vinylene carbonate 19.45
    1,1,2-trichlorotrifluoroethane 59.63
    DMS 12.77
    cumene 0.93
    2-octanol 1.25
    2-hexanone 12.81
    octyl acetate 4.5
    limonene 2.1
    1,2-dimethoxyethane 53.33
    ethyl orthosilicate 6.85
    tributyl phosphate 5.21
    diacetone alcohol 20.58
    N,N-dimethylaniline 5.02
    acrylonitrile 23.13
    aniline 4.88
    1,3-propanediol 7.18
    bromobenzene 3.32
    dibromomethane 10.4
    1,1,2,2-tetrachloroethane 34.68
    2-methyl-cyclohexyl acetate 8.68
    tetrabutyl urea 8.55
    diisobutyl methanol 2.04
    2-phenylethanol 7.24
    styrene 1.19
    dioctyl adipate 7.53
    dimethyl sulfate 55.65
    ethyl butyrate 9.78
    methyl lactate 16.17
    butyl lactate 6.09
    diethyl carbonate 8.51
    propanediol butyl ether 6.83
    triethyl orthoformate 8.14
    p-tert-butyltoluene 1.38
    methyl 4-tert-butylbenzoate 12.07
    morpholine 37.21
    tert-butylamine 1.84
    n-dodecanol 1.37
    dimethoxymethane 56.34
    ethylene carbonate 17.72
    cyrene 20.76
    2-ethoxyethyl acetate 10.49
    2-ethylhexyl acetate 7.09
    1,2,4-trichlorobenzene 8.28
    4-methylpyridine 14.27
    dibutyl ether 3.29
    2,6-dimethyl-4-heptanol 2.04
    DEF 27.35
    dimethyl isosorbide 36.9
    tetrachloroethylene 16.86
    eugenol 11.64
    triacetin 12.57
    span 80 8.65
    1,4-butanediol 2.43
    1,1-dichloroethane 11.04
    2-methyl-1-pentanol 2.76
    methyl formate 28.93
    2-methyl-1-butanol 2.72
    n-decane 0.17
    butyronitrile 9.08
    3,7-dimethyl-1-octanol 2.77
    1-chlorooctane 1.25
    1-chlorotetradecane 0.56
    n-nonane 0.12
    undecane 0.13
    tert-butylcyclohexane 0.13
    cyclooctane 0.06
    cyclopentanol 7.32
    tetrahydropyran 15.78
    tert-amyl methyl ether 4.21
    2,5,8-trioxanonane 35.87
    1-hexene 0.36
    2-isopropoxyethanol 10.75
    2,2,2-trifluoroethanol 12.64
    methyl butyrate 15.84

    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