7,8-Didehydroastaxanthin

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  • Identifiers

    CAS number
    19866-02-5

    Molecular formula
    C40H50O4

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

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  • Odor profile

    Fragrance
    Woody 56.37%
    Sweet 48.54%
    Fruity 47.13%
    Floral 43.17%
    Spicy 34.61%
    Powdery 34.36%
    Balsamic 32.11%
    Berry 31.68%
    Tropical 31.54%
    Fresh 27.91%

     

    Flavor
    Bitter 41.72%
    Oriental 22.41%
    Balsam 20.16%
    Nitrile 19.56%
    Basil 19.53%
    Low 19.06%
    Diterpene 18.86%
    Ocimene 18.59%
    Opoponax 18.42%
    Heather 18.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    5.73 (weak acid)

    Molecular weight
    594.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1302°C

    Flash point

    • 304.16 ˚C est.

  • Synonyms

    • 7,8-Didehydroastaxanthin
    • Asterinic acid
    • 19866-02-5
    • Asteroidenone
    • MBJ4WSK12V
    • (3S,3'S)-7,8-Didehydroastaxanthin
    • (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
    • DTXSID201313436
    • (6S)-6-hydroxy-3-((1E,3E,5E,7E,9E,11E,13E,15E)-18-((4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl)-2,4,4-trimethylcyclohex-2-en-1-one
    • RefChem:914140
    • DTXCID501743260
    • ASTEROIDENONE-
    • UNII-MBJ4WSK12V
    • SCHEMBL545399
    • CHEBI:166687
    • ASTERINIC ACID, ALL-TRANS-
    • LMPR01070051
    • Q27896450
    • (3S,3'S)-3,3'-Dihydroxy-7,8-didehydro-beta,beta-carotene-4,4'-dione
    • .BETA.-CAROTENE-4,4'-DIONE, 7,8-DIDEHYDRO-3,3'-DIHYDROXY- (3S,3'S)-7,8-DIDEHYDRO-3,3'-DIHYDROXY-.BETA.,.BETA.-CAROTENE-4,4'-DIONE
    • 19866-02-5

  • Applications

    7,8-Didehydroastaxanthin (CAS 19866-02-5) is a colored carotenoid primarily considered as a pigment for cosmetics and personal care, where it contributes color and has potential as an antioxidant ingredient in skin-care formulations; it is also evaluated as an intermediate in the synthesis of astaxanthin and related carotenoids; as a carotenoid pigment, it may be used as a color additive in food processing and in animal feed applications where carotenoid pigments are employed; and researchers continue to explore its role as an antioxidant in complex carotenoid systems. However, all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.51
    methanol 1.3
    isopropanol 0.08
    water 0.0
    ethyl acetate 0.39
    n-propanol 0.47
    acetone 0.62
    n-butanol 0.4
    acetonitrile 0.15
    DMF 3.1
    toluene 0.54
    isobutanol 0.21
    1,4-dioxane 1.68
    methyl acetate 0.48
    THF 6.22
    2-butanone 1.07
    n-pentanol 0.71
    sec-butanol 0.21
    n-hexane 0.08
    ethylene glycol 0.04
    NMP 7.51
    cyclohexane 0.04
    DMSO 1.85
    n-butyl acetate 0.61
    n-octanol 0.48
    chloroform 2.23
    n-propyl acetate 0.73
    acetic acid 0.63
    dichloromethane 2.19
    cyclohexanone 1.71
    propylene glycol 0.09
    isopropyl acetate 0.27
    DMAc 5.92
    2-ethoxyethanol 2.15
    isopentanol 0.27
    n-heptane 0.07
    ethyl formate 0.55
    1,2-dichloroethane 0.84
    n-hexanol 0.54
    2-methoxyethanol 1.5
    isobutyl acetate 0.54
    tetrachloromethane 0.23
    n-pentyl acetate 1.24
    transcutol 5.62
    n-heptanol 0.7
    ethylbenzene 0.53
    MIBK 0.52
    2-propoxyethanol 2.79
    tert-butanol 0.09
    MTBE 0.4
    2-butoxyethanol 2.74
    propionic acid 0.32
    o-xylene 0.33
    formic acid 0.5
    diethyl ether 0.49
    m-xylene 0.35
    p-xylene 0.48
    chlorobenzene 0.67
    dimethyl carbonate 0.47
    n-octane 0.03
    formamide 0.6
    cyclopentanone 2.71
    2-pentanone 0.73
    anisole 1.65
    cyclopentyl methyl ether 1.22
    gamma-butyrolactone 2.43
    1-methoxy-2-propanol 1.07
    pyridine 2.34
    3-pentanone 0.75
    furfural 3.35
    n-dodecane 0.02
    diethylene glycol 0.67
    diisopropyl ether 0.1
    tert-amyl alcohol 0.26
    acetylacetone 0.76
    n-hexadecane 0.02
    acetophenone 1.62
    methyl propionate 0.66
    isopentyl acetate 0.67
    trichloroethylene 2.5
    n-nonanol 0.61
    cyclohexanol 0.21
    benzyl alcohol 1.06
    2-ethylhexanol 0.45
    isooctanol 0.6
    dipropyl ether 0.84
    1,2-dichlorobenzene 0.74
    ethyl lactate 0.53
    propylene carbonate 0.87
    n-methylformamide 1.05
    2-pentanol 0.14
    n-pentane 0.03
    1-propoxy-2-propanol 1.56
    1-methoxy-2-propyl acetate 1.16
    2-(2-methoxypropoxy) propanol 2.7
    mesitylene 0.16
    ε-caprolactone 1.83
    p-cymene 0.26
    epichlorohydrin 4.14
    1,1,1-trichloroethane 0.42
    2-aminoethanol 0.2
    morpholine-4-carbaldehyde 5.44
    sulfolane 4.73
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.76
    n-hexyl acetate 1.33
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 3.3
    sec-butyl acetate 0.48
    tert-butyl acetate 0.48
    decalin 0.06
    glycerin 0.2
    diglyme 6.23
    acrylic acid 0.37
    isopropyl myristate 0.37
    n-butyric acid 0.51
    acetyl acetate 0.29
    di(2-ethylhexyl) phthalate 0.89
    ethyl propionate 0.66
    nitromethane 1.21
    1,2-diethoxyethane 1.64
    benzonitrile 0.52
    trioctyl phosphate 0.45
    1-bromopropane 0.54
    gamma-valerolactone 6.62
    n-decanol 0.35
    triethyl phosphate 0.55
    4-methyl-2-pentanol 0.13
    propionitrile 0.26
    vinylene carbonate 1.07
    1,1,2-trichlorotrifluoroethane 2.71
    DMS 0.61
    cumene 0.35
    2-octanol 0.33
    2-hexanone 1.35
    octyl acetate 0.62
    limonene 0.34
    1,2-dimethoxyethane 4.57
    ethyl orthosilicate 0.67
    tributyl phosphate 0.43
    diacetone alcohol 0.71
    N,N-dimethylaniline 1.48
    acrylonitrile 0.38
    aniline 0.49
    1,3-propanediol 0.27
    bromobenzene 0.72
    dibromomethane 1.1
    1,1,2,2-tetrachloroethane 1.82
    2-methyl-cyclohexyl acetate 1.09
    tetrabutyl urea 0.89
    diisobutyl methanol 0.17
    2-phenylethanol 1.07
    styrene 0.53
    dioctyl adipate 0.98
    dimethyl sulfate 0.97
    ethyl butyrate 0.77
    methyl lactate 0.46
    butyl lactate 1.01
    diethyl carbonate 0.42
    propanediol butyl ether 1.44
    triethyl orthoformate 0.96
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 2.25
    morpholine 2.35
    tert-butylamine 0.06
    n-dodecanol 0.19
    dimethoxymethane 2.4
    ethylene carbonate 0.63
    cyrene 3.73
    2-ethoxyethyl acetate 2.23
    2-ethylhexyl acetate 0.65
    1,2,4-trichlorobenzene 1.0
    4-methylpyridine 1.47
    dibutyl ether 0.61
    2,6-dimethyl-4-heptanol 0.17
    DEF 1.4
    dimethyl isosorbide 4.97
    tetrachloroethylene 1.25
    eugenol 2.51
    triacetin 1.37
    span 80 1.88
    1,4-butanediol 0.2
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 0.73
    methyl formate 0.82
    2-methyl-1-butanol 0.4
    n-decane 0.05
    butyronitrile 0.29
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.29
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 0.27
    tetrahydropyran 1.21
    tert-amyl methyl ether 0.6
    2,5,8-trioxanonane 3.85
    1-hexene 0.36
    2-isopropoxyethanol 1.31
    2,2,2-trifluoroethanol 0.18
    methyl butyrate 1.02

    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