Capsanthin

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  • Identifiers

    CAS number
    465-42-9

    Molecular formula
    C40H56O3

    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(C[C@H](CC2(C)C)O)C)/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.3%
    Floral 47.24%
    Fruity 46.72%
    Sweet 44.86%
    Balsamic 40.04%
    Berry 36.55%
    Tropical 35.39%
    Powdery 34.32%
    Sandalwood 32.25%
    Oily 26.2%

     

    Flavor
    Balsam 28.08%
    Oriental 23.58%
    Bitter 22.46%
    Balsamic 20.75%
    Low 20.08%
    Diterpene 20.0%
    Spicy 19.7%
    Mouldy 19.67%
    Basil 19.65%
    Ocimene 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.6

    pKa est.
    -15.3 (strong acid)

    Molecular weight
    584.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1348°C

    Melting point expt.

    • 176 °C

    Flash point

    • 133.24 ˚C est.

    Solubility expt.

    • In water, 3.41X10-10 mg/L at 25 °C (estimated)
    • Freely soluble in acetone, chloroform; soluble in methanol, ethanol, ether and benzene; slightly soluble in petroleum ether and carbon disulfide.

  • Synonyms

    • Capsanthin
    • 465-42-9
    • all-trans-capsanthin
    • Capsanthin/capsorubin
    • (3R,3'S,5'R)-3,3'-Dihydroxy-beta,kappa-caroten-6'-one
    • DTXSID10905012
    • 420NY1J57N
    • beta,kappa-Caroten-6'one, 3,3'dihydroxy-
    • CHEBI:3375
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-((4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • RefChem:31613
    • DTXCID401334125
    • 207-364-1
    • MFCD31726206
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-19-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • 3,3'-Dihydroxy-beta,kappa-caroten-6'one
    • all trans Capsanthin
    • EINECS 207-364-1
    • UNII-420NY1J57N
    • Paprika Red
    • HSDB 7977
    • VYIRVAXUEZSDNC-RDJLEWNRSA-N
    • CAPSANTHIN [MI]
    • UPCMLD-DP025
    • SCHEMBL117691
    • SPECTRUM1505276
    • orb1984218
    • CHEMBL1519371
    • UPCMLD-DP025:001
    • MSK2442
    • Capsanthin, >=90.0% (HPLC)
    • LMPR01070265
    • AKOS040761459
    • CCG-214238
    • FC69781
    • SDCCGMLS-0066894.P001
    • NCGC00161603-01
    • HY-125711
    • CS-0093389
    • NS00013435
    • C08584
    • D89295
    • A827066
    • Q425431
    • SR-05000002758
    • SR-05000002758-1
    • 3,3'-DIHYDROXY-.BETA.,.KAPPA.-CAROTEN-6'ON
    • .BETA.,.KAPPA.-CAROTEN-6'ONE, 3,3'DIHYDROXY-
    • (3R,3'S,5'R)-3,3'-DIHYDROXY-.BETA.,.KAPPA.-CAROTEN-6'-ONE
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16,18-nonaenone
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • 2,4,6,8,10,12,14,16,18-NONADECANONAEN-1-ONE, 19-(4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-(4-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-, (ALL-E)-
    • 2,4,6,8,10,12,14,16,18-NONADECANONAEN-1-ONE, 19-(4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-(5-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-
    • 465-42-9

  • Applications

    Capsanthin (CAS 465-42-9) is a natural colorant widely used in food processing to impart red-orange hues to products such as juices, oils, and processed foods. It is also used as a pigment in cosmetics and personal care products, and functioning as an antioxidant in formulations. In animal feed, Capsanthin is employed as a colorant for poultry and livestock feeds. In the plastics and coatings/inks sectors, it can serve as a pigment for polymers and printed materials. Owing to its natural origin and color stability, practical use of Capsanthin is typically governed by processing conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.76
    methanol 1.14
    isopropanol 0.13
    water 0.0
    ethyl acetate 1.25
    n-propanol 0.74
    acetone 1.09
    n-butanol 0.68
    acetonitrile 0.21
    DMF 4.75
    toluene 2.02
    isobutanol 0.33
    1,4-dioxane 4.38
    methyl acetate 0.93
    THF 18.07
    2-butanone 2.22
    n-pentanol 1.1
    sec-butanol 0.37
    n-hexane 0.21
    ethylene glycol 0.02
    NMP 16.33
    cyclohexane 0.13
    DMSO 2.34
    n-butyl acetate 2.29
    n-octanol 0.9
    chloroform 9.15
    n-propyl acetate 1.97
    acetic acid 1.01
    dichloromethane 6.78
    cyclohexanone 4.73
    propylene glycol 0.08
    isopropyl acetate 1.1
    DMAc 12.99
    2-ethoxyethanol 2.75
    isopentanol 0.55
    n-heptane 0.18
    ethyl formate 0.91
    1,2-dichloroethane 2.26
    n-hexanol 1.17
    2-methoxyethanol 1.95
    isobutyl acetate 1.85
    tetrachloromethane 0.82
    n-pentyl acetate 3.14
    transcutol 14.25
    n-heptanol 1.33
    ethylbenzene 1.71
    MIBK 1.6
    2-propoxyethanol 5.6
    tert-butanol 0.19
    MTBE 1.28
    2-butoxyethanol 5.07
    propionic acid 0.58
    o-xylene 1.13
    formic acid 0.41
    diethyl ether 1.35
    m-xylene 1.26
    p-xylene 1.55
    chlorobenzene 2.34
    dimethyl carbonate 0.9
    n-octane 0.07
    formamide 0.48
    cyclopentanone 6.68
    2-pentanone 1.81
    anisole 5.04
    cyclopentyl methyl ether 3.86
    gamma-butyrolactone 6.47
    1-methoxy-2-propanol 1.74
    pyridine 5.84
    3-pentanone 1.91
    furfural 6.62
    n-dodecane 0.04
    diethylene glycol 0.84
    diisopropyl ether 0.37
    tert-amyl alcohol 0.6
    acetylacetone 2.08
    n-hexadecane 0.05
    acetophenone 4.31
    methyl propionate 1.6
    isopentyl acetate 2.89
    trichloroethylene 8.25
    n-nonanol 1.21
    cyclohexanol 0.51
    benzyl alcohol 1.97
    2-ethylhexanol 1.2
    isooctanol 1.24
    dipropyl ether 2.47
    1,2-dichlorobenzene 2.73
    ethyl lactate 1.08
    propylene carbonate 2.79
    n-methylformamide 1.14
    2-pentanol 0.3
    n-pentane 0.09
    1-propoxy-2-propanol 3.55
    1-methoxy-2-propyl acetate 4.49
    2-(2-methoxypropoxy) propanol 6.67
    mesitylene 0.62
    ε-caprolactone 5.88
    p-cymene 0.92
    epichlorohydrin 10.21
    1,1,1-trichloroethane 1.94
    2-aminoethanol 0.16
    morpholine-4-carbaldehyde 12.45
    sulfolane 10.56
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 5.86
    n-hexyl acetate 3.76
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 7.37
    sec-butyl acetate 1.84
    tert-butyl acetate 2.2
    decalin 0.22
    glycerin 0.18
    diglyme 15.54
    acrylic acid 0.55
    isopropyl myristate 1.2
    n-butyric acid 1.32
    acetyl acetate 0.95
    di(2-ethylhexyl) phthalate 2.03
    ethyl propionate 2.14
    nitromethane 1.94
    1,2-diethoxyethane 4.45
    benzonitrile 1.21
    trioctyl phosphate 1.04
    1-bromopropane 1.75
    gamma-valerolactone 16.21
    n-decanol 0.64
    triethyl phosphate 2.05
    4-methyl-2-pentanol 0.35
    propionitrile 0.45
    vinylene carbonate 2.89
    1,1,2-trichlorotrifluoroethane 5.51
    DMS 1.72
    cumene 1.14
    2-octanol 0.64
    2-hexanone 3.08
    octyl acetate 1.7
    limonene 1.22
    1,2-dimethoxyethane 8.23
    ethyl orthosilicate 2.49
    tributyl phosphate 1.24
    diacetone alcohol 1.93
    N,N-dimethylaniline 4.27
    acrylonitrile 0.55
    aniline 1.27
    1,3-propanediol 0.33
    bromobenzene 2.89
    dibromomethane 3.72
    1,1,2,2-tetrachloroethane 5.8
    2-methyl-cyclohexyl acetate 4.2
    tetrabutyl urea 2.25
    diisobutyl methanol 0.58
    2-phenylethanol 2.69
    styrene 1.63
    dioctyl adipate 2.88
    dimethyl sulfate 2.3
    ethyl butyrate 2.99
    methyl lactate 0.75
    butyl lactate 2.31
    diethyl carbonate 1.52
    propanediol butyl ether 2.27
    triethyl orthoformate 3.74
    p-tert-butyltoluene 0.92
    methyl 4-tert-butylbenzoate 6.28
    morpholine 6.26
    tert-butylamine 0.13
    n-dodecanol 0.36
    dimethoxymethane 3.71
    ethylene carbonate 1.83
    cyrene 7.79
    2-ethoxyethyl acetate 5.35
    2-ethylhexyl acetate 3.01
    1,2,4-trichlorobenzene 3.82
    4-methylpyridine 4.46
    dibutyl ether 1.7
    2,6-dimethyl-4-heptanol 0.58
    DEF 3.47
    dimethyl isosorbide 15.6
    tetrachloroethylene 3.61
    eugenol 5.65
    triacetin 4.35
    span 80 4.7
    1,4-butanediol 0.17
    1,1-dichloroethane 1.24
    2-methyl-1-pentanol 1.46
    methyl formate 0.88
    2-methyl-1-butanol 0.76
    n-decane 0.11
    butyronitrile 0.62
    3,7-dimethyl-1-octanol 0.95
    1-chlorooctane 0.73
    1-chlorotetradecane 0.17
    n-nonane 0.09
    undecane 0.06
    tert-butylcyclohexane 0.23
    cyclooctane 0.08
    cyclopentanol 0.55
    tetrahydropyran 3.95
    tert-amyl methyl ether 2.18
    2,5,8-trioxanonane 9.62
    1-hexene 0.99
    2-isopropoxyethanol 2.0
    2,2,2-trifluoroethanol 0.33
    methyl butyrate 2.87

    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