Melanins

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  • Identifiers

    CAS number
    8049-97-6

    Molecular formula
    C18H10N2O4

    SMILES
    CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 37.7%
    Odorless 37.34%
    Burnt 37.18%
    Phenolic 22.91%
    Bitter 22.68%
    Dry 22.63%
    Caramellic 22.24%
    Sweet 21.05%
    Powdery 19.13%
    Berry 17.68%

     

    Flavor
    Bitter 97.57%
    Odorless 25.94%
    Nitrile 17.55%
    Very strong 17.45%
    Rotten 17.03%
    Indole 17.01%
    Sweet-like 16.95%
    Cedarleaf 16.68%
    Formyl 16.3%
    Oriental 16.24%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    6.88 (neutral)

    Molecular weight
    318.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3107°C

    Flash point

    • 351.04 ˚C est.

  • Synonyms

    • Melanin
    • 8049-97-6
    • Melanins
    • DTXSID301001278
    • 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone
    • 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1^{2,5}.0^{13,17}.0^{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone
    • 6,14-dimethyl-4,12-diazapentacyclo(8.6.1.12,5.013,17.09,18)octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone
    • 6,14-dimethyl-4,12-diazapentacyclo(8.6.1.1^(2,5).0^(13,17).0^(9,18))octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone
    • RefChem:156300
    • CHEBI:25179
    • DTXCID501428230
    • 232-473-6
    • Melanin from Sepia officinalis
    • 2323070-48-8
    • Phaeomelanins
    • Melanin synthetic
    • C18H10N2O4
    • Melanin, synthetic
    • Levodopa Impurity 15
    • T6T74PN7VH
    • GTPL5415
    • orb2283507
    • CHEMBL4283875
    • SCHEMBL29428189
    • CHEBI:89634
    • Melanin - fungal (Ganoderma lucidum)
    • Melanin - insect (Hermetia illucens)
    • Melanin - plant (Osmanthus fragrans)
    • FM67974
    • AS-88110
    • XM161232
    • XM161233
    • XM679856
    • G86343
    • Q27084224
    • 2,7-Dihydro-3,8-dimethylanthra[1,9-bc:5,10-b'c']dipyrrole-4,5,9,10-tetrone
    • 3,8-Dimethyl-2,7-dihydrobenzo[1,2,3-cd:4,5,6-c'd']diindole-4,5,9,10-tetrone
    • 3,8-dimethylbenzo[1,2,3-cd:4,5,6-c'd']diindole-4,5,9,10(2H,7H)-tetraone
    • Anthra[1,9-bc:5,10-b'c']dipyrrole-4,5,9,10-tetrone, 2,7-dihydro-3,8-dimethyl-
    • 8049-97-6

  • Applications

    Melanins (CAS 8049-97-6) are primarily used as a natural pigment with applications in cosmetics, coatings, and inks due to their natural black color and broad light absorption; they are used as colorants and to enhance color stability in cosmetic formulations and coatings/printing inks. In addition, melanin is studied for potential use as an additive in polymers/plastics to improve UV protection and provide antioxidant functionality, thereby increasing material durability and service life. In electronics and bioelectronics, melanin-like materials are explored as conducting/semiconducting substances with good biocompatibility for sensors and dielectric layers in research and development. Practical deployment depends on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.02
    methanol 0.01
    isopropanol 0.01
    water 0.0
    ethyl acetate 0.1
    n-propanol 0.02
    acetone 0.06
    n-butanol 0.02
    acetonitrile 0.03
    DMF 0.61
    toluene 0.04
    isobutanol 0.02
    1,4-dioxane 0.23
    methyl acetate 0.11
    THF 0.44
    2-butanone 0.13
    n-pentanol 0.02
    sec-butanol 0.02
    n-hexane 0.0
    ethylene glycol 0.02
    NMP 1.75
    cyclohexane 0.0
    DMSO 0.4
    n-butyl acetate 0.28
    n-octanol 0.04
    chloroform 0.07
    n-propyl acetate 0.14
    acetic acid 0.07
    dichloromethane 0.1
    cyclohexanone 0.37
    propylene glycol 0.01
    isopropyl acetate 0.13
    DMAc 1.92
    2-ethoxyethanol 0.16
    isopentanol 0.03
    n-heptane 0.0
    ethyl formate 0.07
    1,2-dichloroethane 0.08
    n-hexanol 0.04
    2-methoxyethanol 0.22
    isobutyl acetate 0.11
    tetrachloromethane 0.01
    n-pentyl acetate 0.38
    transcutol 0.75
    n-heptanol 0.07
    ethylbenzene 0.04
    MIBK 0.13
    2-propoxyethanol 0.44
    tert-butanol 0.03
    MTBE 0.03
    2-butoxyethanol 0.49
    propionic acid 0.06
    o-xylene 0.05
    formic acid 0.07
    diethyl ether 0.03
    m-xylene 0.04
    p-xylene 0.07
    chlorobenzene 0.06
    dimethyl carbonate 0.24
    n-octane 0.0
    formamide 0.18
    cyclopentanone 0.54
    2-pentanone 0.1
    anisole 0.12
    cyclopentyl methyl ether 0.11
    gamma-butyrolactone 0.66
    1-methoxy-2-propanol 0.18
    pyridine 0.35
    3-pentanone 0.1
    furfural 1.01
    n-dodecane 0.0
    diethylene glycol 0.4
    diisopropyl ether 0.02
    tert-amyl alcohol 0.04
    acetylacetone 0.33
    n-hexadecane 0.0
    acetophenone 0.37
    methyl propionate 0.13
    isopentyl acetate 0.42
    trichloroethylene 0.26
    n-nonanol 0.07
    cyclohexanol 0.04
    benzyl alcohol 0.13
    2-ethylhexanol 0.06
    isooctanol 0.09
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.11
    ethyl lactate 0.17
    propylene carbonate 0.36
    n-methylformamide 0.13
    2-pentanol 0.01
    n-pentane 0.0
    1-propoxy-2-propanol 0.32
    1-methoxy-2-propyl acetate 0.67
    2-(2-methoxypropoxy) propanol 0.75
    mesitylene 0.03
    ε-caprolactone 0.44
    p-cymene 0.08
    epichlorohydrin 0.58
    1,1,1-trichloroethane 0.05
    2-aminoethanol 0.02
    morpholine-4-carbaldehyde 1.59
    sulfolane 1.35
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.17
    n-hexyl acetate 0.29
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.64
    sec-butyl acetate 0.13
    tert-butyl acetate 0.22
    decalin 0.0
    glycerin 0.07
    diglyme 1.38
    acrylic acid 0.1
    isopropyl myristate 0.16
    n-butyric acid 0.08
    acetyl acetate 0.11
    di(2-ethylhexyl) phthalate 0.38
    ethyl propionate 0.15
    nitromethane 0.24
    1,2-diethoxyethane 0.28
    benzonitrile 0.17
    trioctyl phosphate 0.22
    1-bromopropane 0.02
    gamma-valerolactone 1.31
    n-decanol 0.05
    triethyl phosphate 0.39
    4-methyl-2-pentanol 0.02
    propionitrile 0.04
    vinylene carbonate 0.37
    1,1,2-trichlorotrifluoroethane 0.82
    DMS 0.67
    cumene 0.04
    2-octanol 0.05
    2-hexanone 0.15
    octyl acetate 0.2
    limonene 0.06
    1,2-dimethoxyethane 0.52
    ethyl orthosilicate 0.33
    tributyl phosphate 0.27
    diacetone alcohol 0.4
    N,N-dimethylaniline 0.16
    acrylonitrile 0.11
    aniline 0.1
    1,3-propanediol 0.05
    bromobenzene 0.05
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.2
    2-methyl-cyclohexyl acetate 0.38
    tetrabutyl urea 0.53
    diisobutyl methanol 0.06
    2-phenylethanol 0.28
    styrene 0.04
    dioctyl adipate 0.29
    dimethyl sulfate 0.67
    ethyl butyrate 0.22
    methyl lactate 0.22
    butyl lactate 0.44
    diethyl carbonate 0.25
    propanediol butyl ether 0.25
    triethyl orthoformate 0.31
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 0.82
    morpholine 0.25
    tert-butylamine 0.01
    n-dodecanol 0.04
    dimethoxymethane 0.29
    ethylene carbonate 0.24
    cyrene 0.82
    2-ethoxyethyl acetate 0.78
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 0.21
    4-methylpyridine 0.27
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.06
    DEF 0.35
    dimethyl isosorbide 1.69
    tetrachloroethylene 0.17
    eugenol 0.93
    triacetin 0.55
    span 80 0.44
    1,4-butanediol 0.02
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.04
    methyl formate 0.12
    2-methyl-1-butanol 0.03
    n-decane 0.0
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.03
    1-chlorotetradecane 0.02
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.04
    tetrahydropyran 0.08
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 1.16
    1-hexene 0.01
    2-isopropoxyethanol 0.15
    2,2,2-trifluoroethanol 0.11
    methyl butyrate 0.2

    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