Melannin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58115-08-5

    Molecular formula
    C16H12O5

    SMILES
    COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 67.52%
    Vanilla 44.4%
    Sweet 43.04%
    Spicy 35.59%
    Burnt 34.31%
    Balsamic 34.31%
    Smoky 34.21%
    Medicinal 32.53%
    Powdery 30.68%
    Creamy 30.05%

     

    Flavor
    Bitter 92.52%
    Curry 20.38%
    Parsley 20.26%
    Eugenol 20.22%
    Very strong 20.16%
    Lovage 19.91%
    Sweet-like 19.82%
    Indole 19.76%
    Cedarleaf 19.7%
    Nitrile 19.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.81 (weak base)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    534°C

    Melting point expt.

    • 233 - 234 °C

    Flash point

    • 227.26 ˚C est.

  • Synonyms

    • Melannin
    • Melanettin
    • DTXSID50331957
    • 6-Hydroxy-4-(4-hydroxyphenyl)-7-methoxycoumarin
    • RefChem:156302
    • DTXCID80283051
    • 58115-08-5
    • 6-hydroxy-4-(4-hydroxyphenyl)-7-methoxychromen-2-one
    • CHEBI:6728
    • CHEMBL2397755
    • SCHEMBL30123483
    • 6-Hydroxy-4-(4-hydroxyphenyl)-7-methoxy-2H-1-benzopyran-2-one
    • LMPK12100004
    • Q27107313
    • 58115-08-5

  • Applications

    Melannin (CAS 58115-08-5) is a pigment that is commonly evaluated for several real-world applications: as a colorant in cosmetics/personal care; as a pigment in coatings and inks; as a colorant for polymers/plastics and is also evaluated as a stabilizer in some formulations; its UV-absorbing properties make it of interest for UV protection in coatings; and it has been studied for electronic/bioelectronic and sensing applications due to its unique conductive and dielectric characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.86
    methanol 2.31
    isopropanol 3.04
    water 0.0
    ethyl acetate 3.27
    n-propanol 3.53
    acetone 6.94
    n-butanol 2.65
    acetonitrile 2.23
    DMF 36.4
    toluene 0.28
    isobutanol 2.09
    1,4-dioxane 13.62
    methyl acetate 6.61
    THF 72.75
    2-butanone 11.89
    n-pentanol 1.65
    sec-butanol 3.42
    n-hexane 0.0
    ethylene glycol 4.36
    NMP 16.78
    cyclohexane 0.01
    DMSO 131.49
    n-butyl acetate 2.7
    n-octanol 0.61
    chloroform 0.08
    n-propyl acetate 3.12
    acetic acid 7.64
    dichloromethane 0.23
    cyclohexanone 8.38
    propylene glycol 3.87
    isopropyl acetate 2.86
    DMAc 63.72
    2-ethoxyethanol 20.29
    isopentanol 3.0
    n-heptane 0.01
    ethyl formate 1.84
    1,2-dichloroethane 0.68
    n-hexanol 0.96
    2-methoxyethanol 47.09
    isobutyl acetate 1.59
    tetrachloromethane 0.03
    n-pentyl acetate 1.86
    transcutol 59.31
    n-heptanol 0.92
    ethylbenzene 0.24
    MIBK 3.13
    2-propoxyethanol 16.98
    tert-butanol 6.16
    MTBE 3.14
    2-butoxyethanol 7.53
    propionic acid 3.89
    o-xylene 0.37
    formic acid 6.39
    diethyl ether 1.27
    m-xylene 0.24
    p-xylene 0.38
    chlorobenzene 0.3
    dimethyl carbonate 4.94
    n-octane 0.01
    formamide 20.12
    cyclopentanone 19.3
    2-pentanone 4.16
    anisole 3.42
    cyclopentyl methyl ether 4.39
    gamma-butyrolactone 22.05
    1-methoxy-2-propanol 25.46
    pyridine 7.32
    3-pentanone 2.86
    furfural 15.81
    n-dodecane 0.02
    diethylene glycol 22.67
    diisopropyl ether 0.36
    tert-amyl alcohol 5.29
    acetylacetone 9.81
    n-hexadecane 0.03
    acetophenone 4.44
    methyl propionate 4.62
    isopentyl acetate 3.64
    trichloroethylene 1.62
    n-nonanol 0.83
    cyclohexanol 1.94
    benzyl alcohol 3.67
    2-ethylhexanol 1.0
    isooctanol 1.04
    dipropyl ether 1.76
    1,2-dichlorobenzene 0.5
    ethyl lactate 3.63
    propylene carbonate 4.36
    n-methylformamide 10.11
    2-pentanol 1.38
    n-pentane 0.0
    1-propoxy-2-propanol 9.97
    1-methoxy-2-propyl acetate 9.55
    2-(2-methoxypropoxy) propanol 13.22
    mesitylene 0.18
    ε-caprolactone 7.89
    p-cymene 0.49
    epichlorohydrin 35.21
    1,1,1-trichloroethane 0.24
    2-aminoethanol 6.73
    morpholine-4-carbaldehyde 32.6
    sulfolane 38.82
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 13.49
    n-hexyl acetate 2.23
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 15.59
    sec-butyl acetate 2.39
    tert-butyl acetate 5.55
    decalin 0.02
    glycerin 15.72
    diglyme 36.18
    acrylic acid 4.56
    isopropyl myristate 1.44
    n-butyric acid 3.4
    acetyl acetate 2.28
    di(2-ethylhexyl) phthalate 2.13
    ethyl propionate 3.33
    nitromethane 22.96
    1,2-diethoxyethane 9.6
    benzonitrile 1.91
    trioctyl phosphate 1.25
    1-bromopropane 0.16
    gamma-valerolactone 38.94
    n-decanol 0.72
    triethyl phosphate 3.13
    4-methyl-2-pentanol 1.1
    propionitrile 2.26
    vinylene carbonate 3.6
    1,1,2-trichlorotrifluoroethane 17.49
    DMS 4.88
    cumene 0.26
    2-octanol 0.53
    2-hexanone 3.64
    octyl acetate 1.69
    limonene 0.51
    1,2-dimethoxyethane 37.23
    ethyl orthosilicate 2.91
    tributyl phosphate 1.73
    diacetone alcohol 14.37
    N,N-dimethylaniline 2.35
    acrylonitrile 4.27
    aniline 2.13
    1,3-propanediol 12.72
    bromobenzene 0.19
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 1.54
    2-methyl-cyclohexyl acetate 3.42
    tetrabutyl urea 3.09
    diisobutyl methanol 1.14
    2-phenylethanol 3.31
    styrene 0.27
    dioctyl adipate 3.22
    dimethyl sulfate 13.34
    ethyl butyrate 3.1
    methyl lactate 7.33
    butyl lactate 2.92
    diethyl carbonate 2.67
    propanediol butyl ether 5.42
    triethyl orthoformate 3.92
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 5.87
    morpholine 25.86
    tert-butylamine 1.07
    n-dodecanol 0.59
    dimethoxymethane 23.57
    ethylene carbonate 2.61
    cyrene 11.29
    2-ethoxyethyl acetate 6.04
    2-ethylhexyl acetate 2.43
    1,2,4-trichlorobenzene 1.11
    4-methylpyridine 4.03
    dibutyl ether 1.51
    2,6-dimethyl-4-heptanol 1.14
    DEF 7.43
    dimethyl isosorbide 22.36
    tetrachloroethylene 0.72
    eugenol 6.98
    triacetin 5.93
    span 80 5.54
    1,4-butanediol 3.07
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 2.24
    methyl formate 6.65
    2-methyl-1-butanol 2.84
    n-decane 0.03
    butyronitrile 1.51
    3,7-dimethyl-1-octanol 1.11
    1-chlorooctane 0.21
    1-chlorotetradecane 0.13
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 3.48
    tetrahydropyran 4.83
    tert-amyl methyl ether 2.93
    2,5,8-trioxanonane 26.27
    1-hexene 0.03
    2-isopropoxyethanol 11.18
    2,2,2-trifluoroethanol 2.78
    methyl butyrate 3.92

    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