Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3,4-dimethanol

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  • Identifiers

    CAS number
    39379-66-3

    Molecular formula
    C40H71NO5

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCCCCCCCCCC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.59%
    Fatty 52.67%
    Oily 42.34%
    Odorless 40.71%
    Creamy 25.46%
    Sweet 23.22%
    Balsamic 23.04%
    Milky 22.95%
    Dairy 21.08%
    Buttery 18.85%

     

    Flavor
    Waxy 43.08%
    Mild 40.35%
    Bland 39.37%
    Oily 38.07%
    Fatty 37.5%
    Faint 31.74%
    Odorless 28.68%
    Slightly waxy 24.44%
    Fat 22.93%
    Beer 22.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.5

    pKa est.
    8.41 (weak base)

    Molecular weight
    646.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    825°C

    Flash point

    • 253.89 ˚C est.

  • Synonyms

    • EINECS 250-520-9
    • Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3,4-dimethanol
    • RefChem:858406
    • 250-520-9
    • VITAMINB6DIPALMITATE
    • {4-[(hexadecanoyloxy)methyl]-5-hydroxy-6-methylpyridin-3-yl}methyl hexadecanoate
    • MFCD01632152
    • [4-(hexadecanoyloxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl hexadecanoate
    • Hexadecanoic acid,(5-hydroxy-6-methyl-3,4-pyridinediyl)bis(methylene) ester
    • {5-[(HEXADECANOYLOXY)METHYL]-3-HYDROXY-2-METHYLPYRIDIN-4-YL}METHYL HEXADECANOATE
    • 39379-66-3
    • SCHEMBL2905259
    • DTXSID80212902
    • RCYWWJBNPIWJMJ-UHFFFAOYSA-N
    • AKOS025310948
    • FP40456
    • AS-13856
    • NS00022037
    • (5-Hydroxy-6-methylpyridine-3,4-diyl)bis(methylene) dihexadecanoate
    • [4-(hexadecanoyloxymethyl)-5-hydroxy-6-methyl-3-pyridyl]methyl hexadecanoate
    • 39379-66-3

  • Applications

    Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3,4-dimethanol (CAS 39379-66-3) is typically used as an intermediate and functional ester in polymer and coating formulations; the long palmitoyl hydrophobic tail supports compatibility with lipophilic matrices, while the pyridine-diol-derived fragment enables downstream functionalization for use in specialty plastics and as a crosslinkable additive in coatings and inks; in cosmetics and personal care it can serve as an emollient ester component or as a vehicle for active ingredients; in household and cleaning products it may be considered a hydrophobic emulsifier or surfactant-building block; in industrial manufacturing it functions as a starting material for synthesizing ester-based materials and advanced functional additives, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.18
    methanol 24.91
    isopropanol 22.83
    water 1.03
    ethyl acetate 201.41
    n-propanol 34.6
    acetone 161.68
    n-butanol 30.81
    acetonitrile 64.89
    DMF 232.54
    toluene 88.99
    isobutanol 29.81
    1,4-dioxane 159.28
    methyl acetate 191.81
    THF 346.77
    2-butanone 194.93
    n-pentanol 29.65
    sec-butanol 42.57
    n-hexane 10.89
    ethylene glycol 4.5
    NMP 702.48
    cyclohexane 29.77
    DMSO 262.72
    n-butyl acetate 105.69
    n-octanol 27.28
    chloroform 577.18
    n-propyl acetate 143.05
    acetic acid 169.54
    dichloromethane 613.68
    cyclohexanone 417.17
    propylene glycol 10.49
    isopropyl acetate 138.26
    DMAc 651.3
    2-ethoxyethanol 72.7
    isopentanol 31.04
    n-heptane 7.36
    ethyl formate 104.29
    1,2-dichloroethane 338.5
    n-hexanol 22.23
    2-methoxyethanol 73.01
    isobutyl acetate 75.36
    tetrachloromethane 161.75
    n-pentyl acetate 177.41
    transcutol 240.52
    n-heptanol 29.52
    ethylbenzene 45.28
    MIBK 94.49
    2-propoxyethanol 64.57
    tert-butanol 35.28
    MTBE 79.81
    2-butoxyethanol 88.88
    propionic acid 117.15
    o-xylene 78.68
    formic acid 43.1
    diethyl ether 70.64
    m-xylene 56.31
    p-xylene 67.42
    chlorobenzene 172.54
    dimethyl carbonate 134.12
    n-octane 4.8
    formamide 82.91
    cyclopentanone 477.02
    2-pentanone 152.56
    anisole 87.32
    cyclopentyl methyl ether 184.95
    gamma-butyrolactone 622.8
    1-methoxy-2-propanol 74.06
    pyridine 235.11
    3-pentanone 184.61
    furfural 380.06
    n-dodecane 2.53
    diethylene glycol 29.45
    diisopropyl ether 29.54
    tert-amyl alcohol 60.02
    acetylacetone 270.39
    n-hexadecane 3.02
    acetophenone 147.66
    methyl propionate 203.68
    isopentyl acetate 97.81
    trichloroethylene 708.23
    n-nonanol 29.46
    cyclohexanol 80.28
    benzyl alcohol 60.62
    2-ethylhexanol 23.99
    isooctanol 29.95
    dipropyl ether 49.9
    1,2-dichlorobenzene 210.19
    ethyl lactate 69.55
    propylene carbonate 339.24
    n-methylformamide 113.37
    2-pentanol 30.98
    n-pentane 8.68
    1-propoxy-2-propanol 64.16
    1-methoxy-2-propyl acetate 133.7
    2-(2-methoxypropoxy) propanol 79.76
    mesitylene 35.16
    ε-caprolactone 433.59
    p-cymene 28.21
    epichlorohydrin 476.99
    1,1,1-trichloroethane 456.47
    2-aminoethanol 14.48
    morpholine-4-carbaldehyde 330.49
    sulfolane 854.68
    2,2,4-trimethylpentane 9.81
    2-methyltetrahydrofuran 267.12
    n-hexyl acetate 138.11
    isooctane 3.49
    2-(2-butoxyethoxy)ethanol 91.19
    sec-butyl acetate 105.93
    tert-butyl acetate 154.35
    decalin 13.47
    glycerin 19.9
    diglyme 244.88
    acrylic acid 111.39
    isopropyl myristate 38.99
    n-butyric acid 168.51
    acetyl acetate 188.58
    di(2-ethylhexyl) phthalate 48.19
    ethyl propionate 148.24
    nitromethane 371.16
    1,2-diethoxyethane 114.4
    benzonitrile 84.93
    trioctyl phosphate 33.1
    1-bromopropane 144.17
    gamma-valerolactone 572.1
    n-decanol 17.59
    triethyl phosphate 81.52
    4-methyl-2-pentanol 19.68
    propionitrile 64.51
    vinylene carbonate 304.04
    1,1,2-trichlorotrifluoroethane 378.89
    DMS 154.95
    cumene 29.5
    2-octanol 26.69
    2-hexanone 115.47
    octyl acetate 57.92
    limonene 45.26
    1,2-dimethoxyethane 141.97
    ethyl orthosilicate 72.79
    tributyl phosphate 45.87
    diacetone alcohol 123.31
    N,N-dimethylaniline 66.48
    acrylonitrile 86.22
    aniline 93.98
    1,3-propanediol 25.03
    bromobenzene 192.55
    dibromomethane 332.69
    1,1,2,2-tetrachloroethane 625.12
    2-methyl-cyclohexyl acetate 92.52
    tetrabutyl urea 64.61
    diisobutyl methanol 16.83
    2-phenylethanol 44.93
    styrene 54.85
    dioctyl adipate 79.02
    dimethyl sulfate 315.63
    ethyl butyrate 110.52
    methyl lactate 92.72
    butyl lactate 114.56
    diethyl carbonate 81.29
    propanediol butyl ether 56.33
    triethyl orthoformate 94.24
    p-tert-butyltoluene 26.68
    methyl 4-tert-butylbenzoate 148.43
    morpholine 185.97
    tert-butylamine 22.87
    n-dodecanol 11.55
    dimethoxymethane 144.63
    ethylene carbonate 266.71
    cyrene 122.6
    2-ethoxyethyl acetate 238.18
    2-ethylhexyl acetate 84.65
    1,2,4-trichlorobenzene 283.02
    4-methylpyridine 213.96
    dibutyl ether 49.92
    2,6-dimethyl-4-heptanol 16.83
    DEF 231.32
    dimethyl isosorbide 184.11
    tetrachloroethylene 414.04
    eugenol 102.35
    triacetin 217.79
    span 80 70.87
    1,4-butanediol 14.83
    1,1-dichloroethane 291.99
    2-methyl-1-pentanol 35.63
    methyl formate 109.73
    2-methyl-1-butanol 39.27
    n-decane 5.99
    butyronitrile 55.22
    3,7-dimethyl-1-octanol 26.6
    1-chlorooctane 31.35
    1-chlorotetradecane 9.4
    n-nonane 5.42
    undecane 3.59
    tert-butylcyclohexane 9.4
    cyclooctane 10.54
    cyclopentanol 92.26
    tetrahydropyran 190.66
    tert-amyl methyl ether 95.5
    2,5,8-trioxanonane 133.94
    1-hexene 28.97
    2-isopropoxyethanol 61.2
    2,2,2-trifluoroethanol 137.98
    methyl butyrate 189.62

    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