Capsanthol

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  • Identifiers

    CAS number
    33981-79-2

    Molecular formula
    C40H58O3

    SMILES
    CC1=C(C(CC(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(C2(CC(CC2(C)C)O)C)O)/C)/C

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  • Odor profile

    Fragrance
    Woody 58.55%
    Balsamic 41.14%
    Floral 40.95%
    Fruity 39.03%
    Sweet 38.68%
    Sandalwood 35.68%
    Tropical 32.26%
    Berry 30.93%
    Powdery 29.64%
    Oily 25.73%

     

    Flavor
    Balsam 32.61%
    Oriental 23.91%
    Balsamic 23.02%
    Herbal 22.2%
    Spicy 21.22%
    Wood 21.09%
    Bitter 20.74%
    Woody 20.52%
    Diterpene 20.48%
    Low 20.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.6

    pKa est.
    -14.91 (strong acid)

    Molecular weight
    586.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1437°C

    Flash point

    • 146.05 ˚C est.

  • Synonyms

    • Capsanthol
    • 33981-79-2
    • RefChem:123317
    • beta,kappa-Carotene-3,3',6'-triol
    • 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
    • 33981-79-2

  • Applications

    Capsanthol (CAS 33981-79-2) is a natural carotenoid pigment used primarily as a red-orange colorant in foods and beverages, delivering natural color without synthetic dyes. In cosmetics and personal care, Capsanthol is used as a colorant in makeup and skincare formulations, with potential antioxidant benefits. In the plastics and coatings sector, it is used as a natural pigment for polymers, coatings, and printing inks to achieve stable red-orange hues. It may also be employed as a color additive in animal feed to enhance the appearance of processed products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.55
    methanol 1.1
    isopropanol 0.07
    water 0.0
    ethyl acetate 0.66
    n-propanol 0.44
    acetone 0.55
    n-butanol 0.39
    acetonitrile 0.1
    DMF 2.82
    toluene 1.18
    isobutanol 0.17
    1,4-dioxane 2.74
    methyl acetate 0.47
    THF 11.16
    2-butanone 1.07
    n-pentanol 0.59
    sec-butanol 0.18
    n-hexane 0.11
    ethylene glycol 0.02
    NMP 9.32
    cyclohexane 0.08
    DMSO 1.55
    n-butyl acetate 1.28
    n-octanol 0.6
    chloroform 4.62
    n-propyl acetate 0.99
    acetic acid 0.62
    dichloromethane 3.29
    cyclohexanone 2.52
    propylene glycol 0.05
    isopropyl acetate 0.58
    DMAc 7.1
    2-ethoxyethanol 1.73
    isopentanol 0.29
    n-heptane 0.12
    ethyl formate 0.54
    1,2-dichloroethane 1.12
    n-hexanol 0.66
    2-methoxyethanol 1.44
    isobutyl acetate 0.96
    tetrachloromethane 0.44
    n-pentyl acetate 1.93
    transcutol 11.21
    n-heptanol 0.85
    ethylbenzene 0.87
    MIBK 0.88
    2-propoxyethanol 3.59
    tert-butanol 0.09
    MTBE 0.66
    2-butoxyethanol 3.48
    propionic acid 0.31
    o-xylene 0.63
    formic acid 0.34
    diethyl ether 0.76
    m-xylene 0.71
    p-xylene 0.77
    chlorobenzene 1.15
    dimethyl carbonate 0.55
    n-octane 0.05
    formamide 0.36
    cyclopentanone 3.64
    2-pentanone 0.95
    anisole 2.8
    cyclopentyl methyl ether 2.3
    gamma-butyrolactone 3.54
    1-methoxy-2-propanol 1.03
    pyridine 3.19
    3-pentanone 0.98
    furfural 3.94
    n-dodecane 0.02
    diethylene glycol 0.57
    diisopropyl ether 0.19
    tert-amyl alcohol 0.3
    acetylacetone 1.2
    n-hexadecane 0.03
    acetophenone 2.42
    methyl propionate 0.87
    isopentyl acetate 1.67
    trichloroethylene 4.21
    n-nonanol 0.8
    cyclohexanol 0.29
    benzyl alcohol 1.12
    2-ethylhexanol 0.7
    isooctanol 0.8
    dipropyl ether 1.47
    1,2-dichlorobenzene 1.35
    ethyl lactate 0.61
    propylene carbonate 1.52
    n-methylformamide 0.73
    2-pentanol 0.16
    n-pentane 0.05
    1-propoxy-2-propanol 2.18
    1-methoxy-2-propyl acetate 2.81
    2-(2-methoxypropoxy) propanol 4.63
    mesitylene 0.36
    ε-caprolactone 3.22
    p-cymene 0.56
    epichlorohydrin 5.71
    1,1,1-trichloroethane 0.86
    2-aminoethanol 0.12
    morpholine-4-carbaldehyde 7.84
    sulfolane 6.2
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 3.16
    n-hexyl acetate 2.28
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 5.55
    sec-butyl acetate 0.94
    tert-butyl acetate 1.24
    decalin 0.12
    glycerin 0.12
    diglyme 11.54
    acrylic acid 0.31
    isopropyl myristate 0.73
    n-butyric acid 0.76
    acetyl acetate 0.51
    di(2-ethylhexyl) phthalate 1.28
    ethyl propionate 1.09
    nitromethane 1.1
    1,2-diethoxyethane 2.92
    benzonitrile 0.61
    trioctyl phosphate 0.68
    1-bromopropane 0.84
    gamma-valerolactone 10.05
    n-decanol 0.42
    triethyl phosphate 1.23
    4-methyl-2-pentanol 0.19
    propionitrile 0.22
    vinylene carbonate 1.59
    1,1,2-trichlorotrifluoroethane 3.5
    DMS 1.02
    cumene 0.58
    2-octanol 0.39
    2-hexanone 1.62
    octyl acetate 1.03
    limonene 0.71
    1,2-dimethoxyethane 5.25
    ethyl orthosilicate 1.56
    tributyl phosphate 0.77
    diacetone alcohol 1.15
    N,N-dimethylaniline 2.38
    acrylonitrile 0.28
    aniline 0.72
    1,3-propanediol 0.23
    bromobenzene 1.4
    dibromomethane 1.81
    1,1,2,2-tetrachloroethane 2.84
    2-methyl-cyclohexyl acetate 2.48
    tetrabutyl urea 1.37
    diisobutyl methanol 0.34
    2-phenylethanol 1.58
    styrene 0.82
    dioctyl adipate 1.79
    dimethyl sulfate 1.38
    ethyl butyrate 1.7
    methyl lactate 0.49
    butyl lactate 1.46
    diethyl carbonate 0.82
    propanediol butyl ether 1.64
    triethyl orthoformate 2.31
    p-tert-butyltoluene 0.55
    methyl 4-tert-butylbenzoate 4.09
    morpholine 3.79
    tert-butylamine 0.07
    n-dodecanol 0.22
    dimethoxymethane 2.57
    ethylene carbonate 1.02
    cyrene 4.93
    2-ethoxyethyl acetate 3.42
    2-ethylhexyl acetate 1.74
    1,2,4-trichlorobenzene 1.85
    4-methylpyridine 2.3
    dibutyl ether 1.05
    2,6-dimethyl-4-heptanol 0.34
    DEF 1.94
    dimethyl isosorbide 10.59
    tetrachloroethylene 2.01
    eugenol 3.74
    triacetin 2.73
    span 80 3.28
    1,4-butanediol 0.1
    1,1-dichloroethane 0.54
    2-methyl-1-pentanol 0.77
    methyl formate 0.58
    2-methyl-1-butanol 0.41
    n-decane 0.07
    butyronitrile 0.31
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.43
    1-chlorotetradecane 0.1
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.12
    cyclooctane 0.05
    cyclopentanol 0.3
    tetrahydropyran 2.29
    tert-amyl methyl ether 1.18
    2,5,8-trioxanonane 7.23
    1-hexene 0.47
    2-isopropoxyethanol 1.15
    2,2,2-trifluoroethanol 0.2
    methyl butyrate 1.52

    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