Xantofyl Palmitate

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  • Identifiers

    CAS number
    547-17-1

    Molecular formula
    C72H116O4

    SMILES
    CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 52.25%
    Floral 45.27%
    Balsamic 43.24%
    Waxy 42.54%
    Oily 41.07%
    Sweet 34.15%
    Sandalwood 32.04%
    Fruity 30.79%
    Green 30.68%
    Fatty 28.95%

     

    Flavor
    Herbal 32.32%
    Balsam 29.6%
    Woody 27.26%
    Wood 23.96%
    Balsamic 22.5%
    Oriental 22.13%
    Diterpene 21.85%
    Low 21.81%
    Opoponax 19.86%
    Spicy 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    26.8

    pKa est.
    9.06 (weak base)

    Molecular weight
    1045.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    666°C

    Flash point

    • 335.01 ˚C est.

  • Synonyms

    • Helenien
    • 547-17-1
    • Xantofyl Palmitate
    • Lutein dipalmitate
    • Xantofil palmitato
    • Xantofyli palmitas
    • Xantofyl palmitate [INN]
    • Helenien (JAN)
    • Palmitate de xantofyle
    • Palmitato de xantofila
    • Dipalmitoyllutein
    • Xantofyl palmitate (INN)
    • Lutein dipalmitinsaeureester
    • Xantofil palmitato [DCIT]
    • Lutein bispalmitate
    • Xantofyli palmitas [INN-Latin]
    • [(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate
    • V2W1791D7V
    • Xanthophyll, dipalmitate
    • HELENIEN [JAN]
    • EINECS 208-916-4
    • Palmitate de xantofyle [INN-French]
    • Palmitato de xantofila [INN-Spanish]
    • XANTOFYL PALMITATE [MART.]
    • XANTOFYL PALMITATE [WHO-DD]
    • .beta.,.epsilon.-Carotene-3,3'-diol, dihexadecanoate, (3R,3'R,6'R)-
    • Xantofyli palmitas (INN-Latin)
    • XANTOFYL PALMITATE (MART.)
    • beta,epsilon-Carotene-3,3'-diol, dihexadecanoate, (3R,3'R,6'R)-
    • Palmitate de xantofyle (INN-French)
    • Palmitato de xantofila (INN-Spanish)
    • .BETA.,.EPSILON.-CAROTENE-3,3'-DIOL, 3,3'-DIHEXADECANOATE, (3R,3'R,6'R)-
    • [(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hexadecanoyloxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl] hexadecanoate
    • ((1R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1R,4R)-4-hexadecanoyloxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethyl-cyclohex-3-en-1-yl) hexadecanoate
    • ((1R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1R,4R)-4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethylcyclohex-3-en-1-yl) hexadecanoate
    • RefChem:902346
    • 4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-en-1-yl hexadecanoate
    • 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-yl hexadecanoate
    • BETA,EPSILON-CAROTENE-3,3'-DIOL, 3,3'-DIHEXADECANOATE, (3R,3'R,6'R)-
    • palmitato de xantofilo
    • Adaptinol
    • Adaptinol (TN)
    • beta-Carotene-4,4'-diol dipalmitate
    • AC1NQY93
    • UNII-V2W1791D7V
    • lutein di-palmitate
    • CHEBI:5636
    • orb1682441
    • SCHEMBL27865192
    • YHGJHDJZIOYZIR-URPSFYETSA-N
    • HY-N8731
    • MFCD00198032
    • AKOS040761824
    • FH139236
    • CS-0148983
    • C08597
    • D01031
    • 547H171
    • Q27106836
    • (6'R)-beta,epsilon-Carotene-3(R),3'(R)-diol dipalmitate
    • (R)-3,5,5-trimethyl-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((1R,4R)-2,6,6-trimethyl-4-(palmitoyloxy)cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohex-3-en-1-yl palmitate
    • 547-17-1

  • Applications

    Xantofyl Palmitate is the palmitate ester of xanthophyll, with lipophilic character and a natural yellow color; in practice it is considered a lipophilic pigment/colorant that can be used in cosmetics and personal care (e.g., lip products, skin creams), as well as in polymers and plastics, coatings and inks at formulation-appropriate levels; it may also serve as an intermediate or color-stabilizing agent in carotenoid chemistry or color systems; depending on local regulations and formulation constraints, it may be considered for color applications in food or animal feed.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.81
    methanol 5.0
    isopropanol 1.69
    water 0.01
    ethyl acetate 32.33
    n-propanol 8.5
    acetone 16.05
    n-butanol 7.54
    acetonitrile 4.29
    DMF 30.46
    toluene 53.57
    isobutanol 5.53
    1,4-dioxane 34.71
    methyl acetate 19.75
    THF 131.45
    2-butanone 38.89
    n-pentanol 11.65
    sec-butanol 6.31
    n-hexane 5.83
    ethylene glycol 0.19
    NMP 212.46
    cyclohexane 5.23
    DMSO 13.73
    n-butyl acetate 32.94
    n-octanol 7.11
    chloroform 163.57
    n-propyl acetate 35.98
    acetic acid 12.32
    dichloromethane 159.22
    cyclohexanone 101.46
    propylene glycol 0.66
    isopropyl acetate 24.55
    DMAc 102.97
    2-ethoxyethanol 16.59
    isopentanol 6.53
    n-heptane 3.92
    ethyl formate 13.36
    1,2-dichloroethane 64.05
    n-hexanol 9.76
    2-methoxyethanol 11.01
    isobutyl acetate 25.55
    tetrachloromethane 18.0
    n-pentyl acetate 42.94
    transcutol 56.61
    n-heptanol 10.05
    ethylbenzene 31.69
    MIBK 23.74
    2-propoxyethanol 26.43
    tert-butanol 2.22
    MTBE 15.11
    2-butoxyethanol 25.87
    propionic acid 11.39
    o-xylene 28.92
    formic acid 3.31
    diethyl ether 20.09
    m-xylene 31.81
    p-xylene 34.75
    chlorobenzene 71.58
    dimethyl carbonate 14.43
    n-octane 1.45
    formamide 4.98
    cyclopentanone 118.71
    2-pentanone 35.76
    anisole 47.26
    cyclopentyl methyl ether 81.16
    gamma-butyrolactone 121.14
    1-methoxy-2-propanol 12.23
    pyridine 87.99
    3-pentanone 42.93
    furfural 80.29
    n-dodecane 0.65
    diethylene glycol 4.31
    diisopropyl ether 6.69
    tert-amyl alcohol 7.77
    acetylacetone 37.28
    n-hexadecane 0.79
    acetophenone 56.81
    methyl propionate 36.01
    isopentyl acetate 31.12
    trichloroethylene 183.11
    n-nonanol 8.97
    cyclohexanol 14.52
    benzyl alcohol 22.85
    2-ethylhexanol 12.24
    isooctanol 10.06
    dipropyl ether 27.47
    1,2-dichlorobenzene 73.64
    ethyl lactate 12.37
    propylene carbonate 53.9
    n-methylformamide 12.11
    2-pentanol 5.24
    n-pentane 2.81
    1-propoxy-2-propanol 24.24
    1-methoxy-2-propyl acetate 41.49
    2-(2-methoxypropoxy) propanol 27.61
    mesitylene 15.42
    ε-caprolactone 120.3
    p-cymene 15.1
    epichlorohydrin 131.13
    1,1,1-trichloroethane 62.32
    2-aminoethanol 1.43
    morpholine-4-carbaldehyde 82.58
    sulfolane 143.1
    2,2,4-trimethylpentane 3.04
    2-methyltetrahydrofuran 88.35
    n-hexyl acetate 39.92
    isooctane 1.14
    2-(2-butoxyethoxy)ethanol 27.33
    sec-butyl acetate 31.02
    tert-butyl acetate 30.51
    decalin 6.23
    glycerin 1.2
    diglyme 59.17
    acrylic acid 9.89
    isopropyl myristate 11.85
    n-butyric acid 22.03
    acetyl acetate 20.5
    di(2-ethylhexyl) phthalate 16.45
    ethyl propionate 36.57
    nitromethane 22.95
    1,2-diethoxyethane 31.15
    benzonitrile 20.56
    trioctyl phosphate 8.99
    1-bromopropane 49.43
    gamma-valerolactone 162.44
    n-decanol 5.19
    triethyl phosphate 21.96
    4-methyl-2-pentanol 4.34
    propionitrile 9.05
    vinylene carbonate 50.76
    1,1,2-trichlorotrifluoroethane 54.9
    DMS 26.44
    cumene 18.58
    2-octanol 6.27
    2-hexanone 42.91
    octyl acetate 16.51
    limonene 21.33
    1,2-dimethoxyethane 38.54
    ethyl orthosilicate 23.94
    tributyl phosphate 11.35
    diacetone alcohol 21.02
    N,N-dimethylaniline 39.78
    acrylonitrile 10.52
    aniline 29.81
    1,3-propanediol 2.43
    bromobenzene 94.62
    dibromomethane 96.76
    1,1,2,2-tetrachloroethane 132.1
    2-methyl-cyclohexyl acetate 45.32
    tetrabutyl urea 19.2
    diisobutyl methanol 5.88
    2-phenylethanol 23.74
    styrene 34.91
    dioctyl adipate 23.81
    dimethyl sulfate 29.53
    ethyl butyrate 37.61
    methyl lactate 9.82
    butyl lactate 25.23
    diethyl carbonate 18.93
    propanediol butyl ether 11.13
    triethyl orthoformate 34.26
    p-tert-butyltoluene 13.82
    methyl 4-tert-butylbenzoate 50.51
    morpholine 50.07
    tert-butylamine 1.98
    n-dodecanol 3.13
    dimethoxymethane 29.13
    ethylene carbonate 39.42
    cyrene 50.88
    2-ethoxyethyl acetate 53.0
    2-ethylhexyl acetate 35.9
    1,2,4-trichlorobenzene 96.96
    4-methylpyridine 79.33
    dibutyl ether 15.96
    2,6-dimethyl-4-heptanol 5.88
    DEF 51.26
    dimethyl isosorbide 77.99
    tetrachloroethylene 76.58
    eugenol 33.32
    triacetin 41.46
    span 80 26.3
    1,4-butanediol 1.57
    1,1-dichloroethane 47.77
    2-methyl-1-pentanol 15.04
    methyl formate 9.77
    2-methyl-1-butanol 10.56
    n-decane 1.81
    butyronitrile 10.24
    3,7-dimethyl-1-octanol 8.2
    1-chlorooctane 10.58
    1-chlorotetradecane 2.58
    n-nonane 1.6
    undecane 1.01
    tert-butylcyclohexane 4.81
    cyclooctane 2.86
    cyclopentanol 14.58
    tetrahydropyran 60.01
    tert-amyl methyl ether 25.88
    2,5,8-trioxanonane 33.49
    1-hexene 20.81
    2-isopropoxyethanol 15.31
    2,2,2-trifluoroethanol 4.21
    methyl butyrate 44.12

    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