Lucernol

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  • Identifiers

    CAS number
    15402-22-9

    Molecular formula
    C15H8O6

    SMILES
    C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.44%
    Phenolic 53.04%
    Burnt 37.77%
    Smoky 21.35%
    Medicinal 20.95%
    Savory 19.24%
    Balsamic 18.32%
    Meaty 17.7%
    Bitter 17.69%
    Spicy 17.56%

     

    Flavor
    Bitter 96.25%
    Odorless 22.57%
    Sweet-like 19.92%
    Very strong 19.47%
    Cedarleaf 19.15%
    Indole 19.05%
    Rotten 18.87%
    Nitrile 18.84%
    Formyl 18.42%
    Parsley 18.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.45 (weak base)

    Molecular weight
    284.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    784°C

    Melting point expt.

    • 350 °C

    Flash point

    • 270.67 ˚C est.

  • Synonyms

    • Lucernol
    • 2,3,9-Trihydroxycoumestan
    • 2,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
    • 2,3,9-trihydroxy-(1)benzofuro(3,2-c)chromen-6-one
    • RefChem:1088577
    • 15402-22-9
    • 2,3,9-Trihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one
    • 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 2,3,9-trihydroxy-
    • 2,3-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
    • 6,7,12-Trihydroxycoumestan
    • DTXSID10165518
    • CHEBI:171702
    • LMPK12090032
    • 2,3-Dimethoxy-alpha-methyl-Benzeneethanamine
    • 2,3,9-trihydroxy-[1]benzouro[3,2-c]chromen-6-one
    • 2,3,9-Trihydroxy-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
    • 2,3,9-Trihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one, 9CI
    • 15402-22-9

  • Applications

    Lucernol (CAS 15402-22-9) is primarily used as an intermediate and processing aid in industrial formulations, with applications across perfumery/fragrance where it serves as an odorant or fragrance ingredient, cosmetics/personal care and household products as a fragrance additive or solvent, and as a solvent or processing aid in industrial manufacturing, coatings/inks, and polymer/plastics processing. It may also be evaluated as a reactive intermediate in polymer synthesis, contributing to formulation stability in certain systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.92
    methanol 16.08
    isopropanol 22.09
    water 0.23
    ethyl acetate 16.12
    n-propanol 21.62
    acetone 13.22
    n-butanol 24.02
    acetonitrile 3.98
    DMF 158.81
    toluene 0.69
    isobutanol 11.68
    1,4-dioxane 32.06
    methyl acetate 20.01
    THF 135.09
    2-butanone 42.76
    n-pentanol 8.61
    sec-butanol 27.0
    n-hexane 0.02
    ethylene glycol 21.74
    NMP 76.0
    cyclohexane 0.04
    DMSO 305.16
    n-butyl acetate 11.6
    n-octanol 5.18
    chloroform 0.04
    n-propyl acetate 12.64
    acetic acid 12.87
    dichloromethane 0.05
    cyclohexanone 30.21
    propylene glycol 16.73
    isopropyl acetate 13.92
    DMAc 231.23
    2-ethoxyethanol 64.63
    isopentanol 20.66
    n-heptane 0.06
    ethyl formate 11.23
    1,2-dichloroethane 0.32
    n-hexanol 6.85
    2-methoxyethanol 192.83
    isobutyl acetate 3.39
    tetrachloromethane 0.03
    n-pentyl acetate 8.76
    transcutol 70.12
    n-heptanol 6.16
    ethylbenzene 0.55
    MIBK 13.96
    2-propoxyethanol 64.88
    tert-butanol 24.07
    MTBE 8.49
    2-butoxyethanol 28.44
    propionic acid 16.18
    o-xylene 0.87
    formic acid 18.66
    diethyl ether 6.96
    m-xylene 0.54
    p-xylene 0.55
    chlorobenzene 0.16
    dimethyl carbonate 17.64
    n-octane 0.05
    formamide 58.69
    cyclopentanone 55.4
    2-pentanone 26.78
    anisole 5.29
    cyclopentyl methyl ether 16.22
    gamma-butyrolactone 51.86
    1-methoxy-2-propanol 132.82
    pyridine 13.24
    3-pentanone 13.99
    furfural 25.09
    n-dodecane 0.1
    diethylene glycol 71.86
    diisopropyl ether 1.36
    tert-amyl alcohol 28.17
    acetylacetone 24.54
    n-hexadecane 0.12
    acetophenone 8.86
    methyl propionate 28.21
    isopentyl acetate 9.61
    trichloroethylene 0.43
    n-nonanol 6.06
    cyclohexanol 14.86
    benzyl alcohol 8.75
    2-ethylhexanol 4.46
    isooctanol 4.55
    dipropyl ether 6.1
    1,2-dichlorobenzene 0.25
    ethyl lactate 17.81
    propylene carbonate 14.38
    n-methylformamide 58.08
    2-pentanol 14.31
    n-pentane 0.03
    1-propoxy-2-propanol 44.82
    1-methoxy-2-propyl acetate 28.18
    2-(2-methoxypropoxy) propanol 30.34
    mesitylene 0.38
    ε-caprolactone 37.14
    p-cymene 0.88
    epichlorohydrin 35.2
    1,1,1-trichloroethane 0.11
    2-aminoethanol 31.49
    morpholine-4-carbaldehyde 99.22
    sulfolane 85.38
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 41.37
    n-hexyl acetate 9.69
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 39.75
    sec-butyl acetate 8.93
    tert-butyl acetate 16.56
    decalin 0.05
    glycerin 58.88
    diglyme 59.62
    acrylic acid 14.58
    isopropyl myristate 5.32
    n-butyric acid 24.07
    acetyl acetate 4.73
    di(2-ethylhexyl) phthalate 4.43
    ethyl propionate 15.76
    nitromethane 34.53
    1,2-diethoxyethane 17.1
    benzonitrile 3.41
    trioctyl phosphate 4.58
    1-bromopropane 0.35
    gamma-valerolactone 102.48
    n-decanol 4.86
    triethyl phosphate 7.04
    4-methyl-2-pentanol 6.59
    propionitrile 8.87
    vinylene carbonate 8.79
    1,1,2-trichlorotrifluoroethane 28.35
    DMS 11.01
    cumene 0.4
    2-octanol 4.48
    2-hexanone 13.63
    octyl acetate 7.11
    limonene 1.19
    1,2-dimethoxyethane 84.15
    ethyl orthosilicate 6.18
    tributyl phosphate 5.17
    diacetone alcohol 59.9
    N,N-dimethylaniline 4.13
    acrylonitrile 12.13
    aniline 5.68
    1,3-propanediol 71.45
    bromobenzene 0.08
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.8
    2-methyl-cyclohexyl acetate 6.55
    tetrabutyl urea 9.86
    diisobutyl methanol 3.49
    2-phenylethanol 8.25
    styrene 0.45
    dioctyl adipate 7.52
    dimethyl sulfate 32.85
    ethyl butyrate 10.69
    methyl lactate 44.82
    butyl lactate 12.87
    diethyl carbonate 6.31
    propanediol butyl ether 23.47
    triethyl orthoformate 9.92
    p-tert-butyltoluene 0.83
    methyl 4-tert-butylbenzoate 10.8
    morpholine 86.18
    tert-butylamine 4.22
    n-dodecanol 3.59
    dimethoxymethane 85.36
    ethylene carbonate 10.17
    cyrene 25.65
    2-ethoxyethyl acetate 15.23
    2-ethylhexyl acetate 6.6
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 10.64
    dibutyl ether 5.34
    2,6-dimethyl-4-heptanol 3.49
    DEF 58.65
    dimethyl isosorbide 34.3
    tetrachloroethylene 0.48
    eugenol 13.81
    triacetin 10.79
    span 80 17.33
    1,4-butanediol 14.18
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 8.77
    methyl formate 24.66
    2-methyl-1-butanol 20.07
    n-decane 0.14
    butyronitrile 8.84
    3,7-dimethyl-1-octanol 4.86
    1-chlorooctane 0.67
    1-chlorotetradecane 0.4
    n-nonane 0.09
    undecane 0.12
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 18.64
    tetrahydropyran 19.03
    tert-amyl methyl ether 12.25
    2,5,8-trioxanonane 47.88
    1-hexene 0.19
    2-isopropoxyethanol 31.93
    2,2,2-trifluoroethanol 8.04
    methyl butyrate 20.99

    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