Capsanthone

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  • Identifiers

    CAS number
    28368-01-6

    Molecular formula
    C40H54O3

    SMILES
    CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(CC(=O)CC2(C)C)C)/C)/C

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  • Odor profile

    Fragrance
    Woody 66.73%
    Fruity 53.29%
    Floral 47.66%
    Sweet 47.31%
    Berry 39.54%
    Balsamic 38.02%
    Tropical 36.69%
    Powdery 35.83%
    Sandalwood 29.36%
    Orris 27.66%

     

    Flavor
    Balsam 25.62%
    Oriental 23.65%
    Bitter 23.01%
    Low 20.0%
    Basil 19.97%
    Diterpene 19.9%
    Balsamic 19.61%
    Mouldy 19.46%
    Ocimene 19.44%
    Nitrile 19.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.2

    pKa est.
    -15.63 (strong acid)

    Molecular weight
    582.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1063°C

    Flash point

    • 132.6 ˚C est.

  • Synonyms

    • Capsanthone
    • 28368-01-6
    • (3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one
    • (3R)-3-((2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-((4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl)-3,4,4-trimethylcyclopentan-1-one
    • RefChem:123318
    • (3R,5'R)-3-Hydroxy-beta,kappa-carotene-3',6'-dione
    • SCHEMBL29576819
    • CHEBI:230393
    • DTXSID901345731
    • Q63399388
    • 28368-01-6

  • Applications

    Capsanthone, CAS 28368-01-6, is a natural pigment primarily derived from Capsicum peppers and provides a red-orange color. In the food industry it is evaluated as a natural colorant for processed foods and beverages, and it is also considered for use in cosmetics and personal care products as a colorant. In plastics, polymers, coatings, and inks, capsanthone can be used as a color additive to color formulations and surfaces. Additionally, it is studied as an intermediate in the synthesis of other carotenoids or related color compounds, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.77
    methanol 1.06
    isopropanol 0.16
    water 0.0
    ethyl acetate 1.74
    n-propanol 0.89
    acetone 1.48
    n-butanol 0.83
    acetonitrile 0.34
    DMF 6.36
    toluene 2.45
    isobutanol 0.43
    1,4-dioxane 5.01
    methyl acetate 1.36
    THF 20.07
    2-butanone 3.13
    n-pentanol 1.39
    sec-butanol 0.48
    n-hexane 0.25
    ethylene glycol 0.02
    NMP 22.04
    cyclohexane 0.14
    DMSO 2.62
    n-butyl acetate 2.96
    n-octanol 0.96
    chloroform 14.76
    n-propyl acetate 2.79
    acetic acid 1.29
    dichloromethane 10.93
    cyclohexanone 6.05
    propylene glycol 0.1
    isopropyl acetate 1.47
    DMAc 17.49
    2-ethoxyethanol 3.24
    isopentanol 0.69
    n-heptane 0.18
    ethyl formate 1.2
    1,2-dichloroethane 3.39
    n-hexanol 1.4
    2-methoxyethanol 2.09
    isobutyl acetate 2.54
    tetrachloromethane 1.19
    n-pentyl acetate 3.73
    transcutol 15.23
    n-heptanol 1.42
    ethylbenzene 2.3
    MIBK 1.99
    2-propoxyethanol 6.45
    tert-butanol 0.24
    MTBE 1.61
    2-butoxyethanol 5.67
    propionic acid 0.78
    o-xylene 1.41
    formic acid 0.47
    diethyl ether 1.59
    m-xylene 1.58
    p-xylene 2.18
    chlorobenzene 3.45
    dimethyl carbonate 1.17
    n-octane 0.07
    formamide 0.59
    cyclopentanone 8.61
    2-pentanone 2.37
    anisole 6.77
    cyclopentyl methyl ether 4.52
    gamma-butyrolactone 8.6
    1-methoxy-2-propanol 2.07
    pyridine 7.79
    3-pentanone 2.54
    furfural 9.31
    n-dodecane 0.04
    diethylene glycol 0.97
    diisopropyl ether 0.43
    tert-amyl alcohol 0.75
    acetylacetone 2.77
    n-hexadecane 0.05
    acetophenone 5.98
    methyl propionate 2.09
    isopentyl acetate 3.62
    trichloroethylene 13.28
    n-nonanol 1.3
    cyclohexanol 0.62
    benzyl alcohol 2.63
    2-ethylhexanol 1.41
    isooctanol 1.37
    dipropyl ether 2.89
    1,2-dichlorobenzene 4.21
    ethyl lactate 1.41
    propylene carbonate 3.9
    n-methylformamide 1.46
    2-pentanol 0.37
    n-pentane 0.1
    1-propoxy-2-propanol 4.2
    1-methoxy-2-propyl acetate 5.58
    2-(2-methoxypropoxy) propanol 7.63
    mesitylene 0.76
    ε-caprolactone 7.55
    p-cymene 1.13
    epichlorohydrin 13.4
    1,1,1-trichloroethane 3.22
    2-aminoethanol 0.19
    morpholine-4-carbaldehyde 15.55
    sulfolane 13.35
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 7.09
    n-hexyl acetate 4.41
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 7.84
    sec-butyl acetate 2.53
    tert-butyl acetate 2.77
    decalin 0.25
    glycerin 0.21
    diglyme 17.4
    acrylic acid 0.75
    isopropyl myristate 1.42
    n-butyric acid 1.67
    acetyl acetate 1.35
    di(2-ethylhexyl) phthalate 2.49
    ethyl propionate 2.94
    nitromethane 2.87
    1,2-diethoxyethane 5.1
    benzonitrile 1.83
    trioctyl phosphate 1.2
    1-bromopropane 2.48
    gamma-valerolactone 20.03
    n-decanol 0.72
    triethyl phosphate 2.54
    4-methyl-2-pentanol 0.42
    propionitrile 0.67
    vinylene carbonate 4.1
    1,1,2-trichlorotrifluoroethane 7.16
    DMS 2.3
    cumene 1.52
    2-octanol 0.71
    2-hexanone 4.24
    octyl acetate 1.99
    limonene 1.45
    1,2-dimethoxyethane 9.86
    ethyl orthosilicate 3.02
    tributyl phosphate 1.49
    diacetone alcohol 2.37
    N,N-dimethylaniline 5.59
    acrylonitrile 0.82
    aniline 1.67
    1,3-propanediol 0.36
    bromobenzene 4.35
    dibromomethane 5.57
    1,1,2,2-tetrachloroethane 8.97
    2-methyl-cyclohexyl acetate 5.33
    tetrabutyl urea 2.77
    diisobutyl methanol 0.66
    2-phenylethanol 3.38
    styrene 2.26
    dioctyl adipate 3.51
    dimethyl sulfate 3.13
    ethyl butyrate 3.79
    methyl lactate 0.91
    butyl lactate 2.8
    diethyl carbonate 2.0
    propanediol butyl ether 2.49
    triethyl orthoformate 4.52
    p-tert-butyltoluene 1.08
    methyl 4-tert-butylbenzoate 7.6
    morpholine 7.26
    tert-butylamine 0.17
    n-dodecanol 0.4
    dimethoxymethane 4.12
    ethylene carbonate 2.52
    cyrene 10.06
    2-ethoxyethyl acetate 6.23
    2-ethylhexyl acetate 3.75
    1,2,4-trichlorobenzene 5.99
    4-methylpyridine 6.2
    dibutyl ether 1.94
    2,6-dimethyl-4-heptanol 0.66
    DEF 4.58
    dimethyl isosorbide 18.67
    tetrachloroethylene 5.13
    eugenol 7.04
    triacetin 5.38
    span 80 5.29
    1,4-butanediol 0.22
    1,1-dichloroethane 2.03
    2-methyl-1-pentanol 1.86
    methyl formate 1.14
    2-methyl-1-butanol 0.94
    n-decane 0.12
    butyronitrile 0.9
    3,7-dimethyl-1-octanol 1.08
    1-chlorooctane 0.85
    1-chlorotetradecane 0.21
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.27
    cyclooctane 0.08
    cyclopentanol 0.7
    tetrahydropyran 4.6
    tert-amyl methyl ether 2.62
    2,5,8-trioxanonane 10.56
    1-hexene 1.29
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 0.45
    methyl butyrate 3.98

    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