Pyridoxine tris-hexyldecanoate

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  • Identifiers

    CAS number
    564478-51-9

    Molecular formula
    C56H101NO6

    SMILES
    CCCCCCCCC(CCCCCC)C(=O)OCC1=CN=C(C(=C1COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 51.8%
    Oily 45.9%
    Fatty 36.47%
    Odorless 33.82%
    Woody 33.57%
    Herbal 33.05%
    Balsamic 31.8%
    Floral 30.87%
    Fruity 26.29%
    Jasmin 24.29%

     

    Flavor
    Bland 40.38%
    Mild 34.31%
    Waxy 29.39%
    Odorless 27.94%
    Faint 27.43%
    Oily 26.37%
    Fatty 23.05%
    Slightly waxy 22.35%
    Delicate 20.94%
    Beer 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.9

    pKa est.
    9.08 (weak base)

    Molecular weight
    884.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    661°C

    Flash point

    • 245.39 ˚C est.

  • Synonyms

    • Pyridoxine tris-hexyldecanoate
    • Nikkol VB6-IP
    • 564478-51-9
    • (+/-)-Pyridoxine tris-hexyldecanoate
    • Pyridoxine tris-hexyldecanoate, (+/-)-
    • UNII-41749C0203
    • 41749C0203
    • Decanoic acid, 2-hexyl-, (5-((2-hexyl-1-oxodecyl)oxy)-6-methyl-3,4-pyridinediyl)bis(methylene) ester
    • Decanoic acid, 2-hexyl-, 1,1'-((5-((2-hexyl-1-oxodecyl)oxy)-6-methyl-3,4-pyridinediyl)bis(methylene)) ester
    • GQJPGCPNWFZCPD-UHFFFAOYSA-N
    • Q27258409
    • (5-((2-Hexyldecanoyl)oxy)-6-methylpyridine-3,4-diyl)bis(methylene) bis(2-hexyldecanoate)
    • 564478-51-9

  • Applications

    Pyridoxine tris-hexyldecanoate is a highly lipophilic ester of vitamin B6, typically considered as a vitamin delivery component in cosmetic and pharmaceutical formulations. In cosmetics and personal care, it can act as a lipophilic carrier for pyridoxine in creams, lotions, and serums, supporting vitamin delivery and potentially enabling controlled release in the skin. In pharmaceutical development, it is used as an intermediate or prodrug-like derivative to facilitate dermal or topical delivery of pyridoxine, and as a building block for related pyridoxine esters. It may also serve as a formulation aid in polymer or coating systems where a lipophilic vitamin derivative is desired, such as specialty plastics or functional coatings. In nutraceutical contexts, it may be evaluated for lipid-based delivery forms of pyridoxine in dietary supplements. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.42
    methanol 137.44
    isopropanol 179.74
    water 10.4
    ethyl acetate 1351.15
    n-propanol 233.03
    acetone 941.5
    n-butanol 219.38
    acetonitrile 485.1
    DMF 1020.46
    toluene 682.39
    isobutanol 230.76
    1,4-dioxane 794.09
    methyl acetate 1190.45
    THF 1370.4
    2-butanone 1081.45
    n-pentanol 194.98
    sec-butanol 308.74
    n-hexane 95.39
    ethylene glycol 38.6
    NMP 2611.43
    cyclohexane 221.85
    DMSO 839.74
    n-butyl acetate 597.61
    n-octanol 155.32
    chloroform 2487.31
    n-propyl acetate 715.41
    acetic acid 995.86
    dichloromethane 2584.84
    cyclohexanone 1835.24
    propylene glycol 81.07
    isopropyl acetate 942.88
    DMAc 2321.11
    2-ethoxyethanol 332.39
    isopentanol 226.89
    n-heptane 57.82
    ethyl formate 549.94
    1,2-dichloroethane 1620.98
    n-hexanol 156.92
    2-methoxyethanol 363.76
    isobutyl acetate 419.99
    tetrachloromethane 816.82
    n-pentyl acetate 886.06
    transcutol 945.57
    n-heptanol 168.27
    ethylbenzene 286.25
    MIBK 551.41
    2-propoxyethanol 328.58
    tert-butanol 246.59
    MTBE 523.29
    2-butoxyethanol 391.62
    propionic acid 757.27
    o-xylene 560.95
    formic acid 256.2
    diethyl ether 512.78
    m-xylene 440.31
    p-xylene 402.84
    chlorobenzene 1075.99
    dimethyl carbonate 932.08
    n-octane 37.17
    formamide 437.84
    cyclopentanone 2046.1
    2-pentanone 901.06
    anisole 432.8
    cyclopentyl methyl ether 1036.41
    gamma-butyrolactone 2563.18
    1-methoxy-2-propanol 408.27
    pyridine 1097.14
    3-pentanone 1089.36
    furfural 1596.43
    n-dodecane 18.52
    diethylene glycol 161.48
    diisopropyl ether 247.54
    tert-amyl alcohol 407.33
    acetylacetone 1499.72
    n-hexadecane 21.67
    acetophenone 683.11
    methyl propionate 1248.09
    isopentyl acetate 535.91
    trichloroethylene 3252.77
    n-nonanol 159.89
    cyclohexanol 503.83
    benzyl alcohol 321.45
    2-ethylhexanol 144.56
    isooctanol 168.68
    dipropyl ether 257.63
    1,2-dichlorobenzene 1192.25
    ethyl lactate 346.36
    propylene carbonate 1587.41
    n-methylformamide 561.86
    2-pentanol 253.92
    n-pentane 93.86
    1-propoxy-2-propanol 304.9
    1-methoxy-2-propyl acetate 674.48
    2-(2-methoxypropoxy) propanol 301.22
    mesitylene 289.11
    ε-caprolactone 1978.87
    p-cymene 166.5
    epichlorohydrin 2019.3
    1,1,1-trichloroethane 2448.48
    2-aminoethanol 98.2
    morpholine-4-carbaldehyde 1363.71
    sulfolane 2804.43
    2,2,4-trimethylpentane 86.08
    2-methyltetrahydrofuran 1280.58
    n-hexyl acetate 720.61
    isooctane 33.87
    2-(2-butoxyethoxy)ethanol 377.84
    sec-butyl acetate 594.24
    tert-butyl acetate 906.88
    decalin 91.87
    glycerin 128.03
    diglyme 876.57
    acrylic acid 736.88
    isopropyl myristate 200.78
    n-butyric acid 980.95
    acetyl acetate 1439.64
    di(2-ethylhexyl) phthalate 230.39
    ethyl propionate 782.1
    nitromethane 1886.9
    1,2-diethoxyethane 511.95
    benzonitrile 486.7
    trioctyl phosphate 159.14
    1-bromopropane 868.91
    gamma-valerolactone 2223.24
    n-decanol 99.65
    triethyl phosphate 357.82
    4-methyl-2-pentanol 156.9
    propionitrile 449.37
    vinylene carbonate 1429.68
    1,1,2-trichlorotrifluoroethane 1451.23
    DMS 986.35
    cumene 179.08
    2-octanol 160.45
    2-hexanone 553.27
    octyl acetate 299.37
    limonene 263.49
    1,2-dimethoxyethane 539.39
    ethyl orthosilicate 323.69
    tributyl phosphate 216.02
    diacetone alcohol 646.24
    N,N-dimethylaniline 320.7
    acrylonitrile 571.82
    aniline 604.2
    1,3-propanediol 170.16
    bromobenzene 1271.09
    dibromomethane 1628.22
    1,1,2,2-tetrachloroethane 2733.26
    2-methyl-cyclohexyl acetate 400.19
    tetrabutyl urea 272.94
    diisobutyl methanol 94.12
    2-phenylethanol 244.41
    styrene 343.36
    dioctyl adipate 334.91
    dimethyl sulfate 1535.36
    ethyl butyrate 532.69
    methyl lactate 567.24
    butyl lactate 510.26
    diethyl carbonate 397.52
    propanediol butyl ether 259.96
    triethyl orthoformate 414.2
    p-tert-butyltoluene 155.14
    methyl 4-tert-butylbenzoate 662.26
    morpholine 834.85
    tert-butylamine 174.4
    n-dodecanol 68.28
    dimethoxymethane 737.42
    ethylene carbonate 1293.81
    cyrene 447.33
    2-ethoxyethyl acetate 1178.99
    2-ethylhexyl acetate 478.45
    1,2,4-trichlorobenzene 1495.87
    4-methylpyridine 1154.39
    dibutyl ether 249.96
    2,6-dimethyl-4-heptanol 94.12
    DEF 1228.62
    dimethyl isosorbide 594.49
    tetrachloroethylene 1872.98
    eugenol 429.61
    triacetin 984.78
    span 80 303.67
    1,4-butanediol 98.11
    1,1-dichloroethane 1662.45
    2-methyl-1-pentanol 233.39
    methyl formate 559.06
    2-methyl-1-butanol 285.05
    n-decane 39.67
    butyronitrile 366.97
    3,7-dimethyl-1-octanol 145.33
    1-chlorooctane 185.25
    1-chlorotetradecane 60.75
    n-nonane 38.42
    undecane 25.16
    tert-butylcyclohexane 64.06
    cyclooctane 92.57
    cyclopentanol 534.62
    tetrahydropyran 935.29
    tert-amyl methyl ether 574.87
    2,5,8-trioxanonane 468.94
    1-hexene 213.13
    2-isopropoxyethanol 301.61
    2,2,2-trifluoroethanol 822.43
    methyl butyrate 895.24

    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