Pyridoxine 3,4-dicaprylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    635-36-9

    Molecular formula
    C24H39NO5

    SMILES
    CCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.28%
    Oily 37.12%
    Floral 36.3%
    Fatty 33.57%
    Fruity 33.45%
    Lactonic 31.57%
    Waxy 27.22%
    Herbal 26.15%
    Sweet 25.87%
    Milky 25.82%

     

    Flavor
    Oily 34.21%
    Waxy 32.27%
    Bland 31.9%
    Mild 29.13%
    Odorless 25.98%
    Fruity 24.54%
    Herbal 24.18%
    Fatty 24.17%
    Soapy 23.87%
    Parsley 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.57 (neutral)

    Molecular weight
    421.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    563°C

    Flash point

    • 221.47 ˚C est.

  • Synonyms

    • Pyridoxine 3,4-dioctanoate
    • 635-36-9
    • pyridoxine 3,4-dicaprylate
    • VD9ZZ6S97T
    • Octanoic acid, (5-hydroxy-6-methyl-3,4-pyridinediyl)bis(methylene) ester
    • RefChem:177729
    • Pyridoxine Dicaprylate
    • 106483-04-9
    • MFCD28386112
    • [5-hydroxy-6-methyl-4-(octanoyloxymethyl)pyridin-3-yl]methyl octanoate
    • (5-Hydroxy-6-methylpyridine-3,4-diyl)bis(methylene) dioctanoate
    • Oristar PDC
    • Nikkol DK
    • pyridoxine dioctanoate
    • UNII-71R8Y8O5OU
    • PyridoxineDicaprylate
    • UNII-VD9ZZ6S97T
    • SCHEMBL483438
    • 71R8Y8O5OU
    • DTXSID70979719
    • PAUSGZCRNOTKPK-UHFFFAOYSA-N
    • PYRIDOXOL, 3,4-DIOCTANOATE
    • Octanoic acid, diester with 5-hydroxy-6-methyl-3,4-pyridinedimethanol
    • SY235116
    • D92195
    • OCTANOIC ACID, 3,4-DIESTER WITH PYRIDOXOL
    • Q27291767
    • [6-methyl-4-(octanoyloxymethyl)-5-oxidanyl-pyridin-3-yl]methyl octanoate
    • OCTANOIC ACID, (5-HYDROXY-6-METHYL-3,4-PYRIDINEDIYL)DIMETHYLENE ESTER
    • OCTANOIC ACID, (3-HYDROXY-2-METHYL-5-(((1-OXOOCTYL)OXY)METHYL)-4-PYRIDINYL)METHYL ESTER
    • 106483-04-9

  • Applications

    Pyridoxine 3,4-dicaprylate, 635-36-9, is used primarily as a lipophilic derivative of vitamin B6 for cosmetic and topical formulations. In cosmetics and personal care, it serves as an emollient and conditioning agent and can act as a vitamin B6 delivery component in creams, serums, and hair-care products. In pharmaceutical and nutraceutical development, it is typically used as an intermediate in the synthesis of other pyridoxine esters or related vitamin B6 derivatives, enabling access to lipid-soluble variants. In industrial manufacturing, it is employed as an intermediate in organic synthesis workflows to prepare pyridoxine-based esters, and it may be encountered in formulation research as a lipophilic vitamin source to enhance compatibility of lipid-based systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.08
    methanol 104.54
    isopropanol 67.59
    water 0.66
    ethyl acetate 347.32
    n-propanol 102.5
    acetone 417.1
    n-butanol 82.53
    acetonitrile 179.02
    DMF 565.17
    toluene 160.55
    isobutanol 80.4
    1,4-dioxane 244.12
    methyl acetate 364.33
    THF 524.98
    2-butanone 396.48
    n-pentanol 74.63
    sec-butanol 102.65
    n-hexane 5.6
    ethylene glycol 13.1
    NMP 1061.35
    cyclohexane 15.51
    DMSO 777.24
    n-butyl acetate 132.89
    n-octanol 23.96
    chloroform 961.78
    n-propyl acetate 176.04
    acetic acid 467.37
    dichloromethane 1217.19
    cyclohexanone 699.94
    propylene glycol 29.13
    isopropyl acetate 211.65
    DMAc 1281.36
    2-ethoxyethanol 180.69
    isopentanol 77.6
    n-heptane 2.5
    ethyl formate 163.66
    1,2-dichloroethane 786.61
    n-hexanol 40.73
    2-methoxyethanol 222.34
    isobutyl acetate 86.17
    tetrachloromethane 168.11
    n-pentyl acetate 147.26
    transcutol 535.35
    n-heptanol 32.89
    ethylbenzene 56.02
    MIBK 149.13
    2-propoxyethanol 133.65
    tert-butanol 101.52
    MTBE 139.56
    2-butoxyethanol 121.75
    propionic acid 272.15
    o-xylene 112.25
    formic acid 134.85
    diethyl ether 115.52
    m-xylene 76.13
    p-xylene 83.49
    chlorobenzene 263.38
    dimethyl carbonate 185.96
    n-octane 1.73
    formamide 271.63
    cyclopentanone 736.82
    2-pentanone 288.49
    anisole 126.23
    cyclopentyl methyl ether 248.16
    gamma-butyrolactone 855.36
    1-methoxy-2-propanol 174.76
    pyridine 419.2
    3-pentanone 315.71
    furfural 593.41
    n-dodecane 1.34
    diethylene glycol 81.49
    diisopropyl ether 32.96
    tert-amyl alcohol 142.37
    acetylacetone 440.77
    n-hexadecane 1.59
    acetophenone 202.0
    methyl propionate 326.7
    isopentyl acetate 130.7
    trichloroethylene 1445.48
    n-nonanol 27.17
    cyclohexanol 151.77
    benzyl alcohol 125.47
    2-ethylhexanol 30.57
    isooctanol 30.71
    dipropyl ether 41.6
    1,2-dichlorobenzene 276.05
    ethyl lactate 88.96
    propylene carbonate 424.1
    n-methylformamide 280.68
    2-pentanol 64.25
    n-pentane 4.99
    1-propoxy-2-propanol 96.94
    1-methoxy-2-propyl acetate 186.35
    2-(2-methoxypropoxy) propanol 123.57
    mesitylene 39.9
    ε-caprolactone 615.96
    p-cymene 26.61
    epichlorohydrin 849.52
    1,1,1-trichloroethane 667.61
    2-aminoethanol 48.51
    morpholine-4-carbaldehyde 556.52
    sulfolane 1166.58
    2,2,4-trimethylpentane 6.93
    2-methyltetrahydrofuran 366.53
    n-hexyl acetate 130.88
    isooctane 2.55
    2-(2-butoxyethoxy)ethanol 154.69
    sec-butyl acetate 121.88
    tert-butyl acetate 206.34
    decalin 10.02
    glycerin 53.53
    diglyme 347.57
    acrylic acid 248.06
    isopropyl myristate 36.22
    n-butyric acid 342.43
    acetyl acetate 294.19
    di(2-ethylhexyl) phthalate 54.02
    ethyl propionate 181.06
    nitromethane 914.0
    1,2-diethoxyethane 156.97
    benzonitrile 151.53
    trioctyl phosphate 32.48
    1-bromopropane 250.84
    gamma-valerolactone 878.63
    n-decanol 17.62
    triethyl phosphate 81.06
    4-methyl-2-pentanol 35.3
    propionitrile 142.02
    vinylene carbonate 370.75
    1,1,2-trichlorotrifluoroethane 656.6
    DMS 188.97
    cumene 33.73
    2-octanol 23.67
    2-hexanone 158.69
    octyl acetate 57.08
    limonene 41.56
    1,2-dimethoxyethane 257.28
    ethyl orthosilicate 73.26
    tributyl phosphate 49.35
    diacetone alcohol 213.36
    N,N-dimethylaniline 93.7
    acrylonitrile 206.1
    aniline 209.23
    1,3-propanediol 80.97
    bromobenzene 269.14
    dibromomethane 626.45
    1,1,2,2-tetrachloroethane 1165.03
    2-methyl-cyclohexyl acetate 98.79
    tetrabutyl urea 66.69
    diisobutyl methanol 19.18
    2-phenylethanol 80.04
    styrene 79.61
    dioctyl adipate 76.36
    dimethyl sulfate 418.37
    ethyl butyrate 110.88
    methyl lactate 145.54
    butyl lactate 110.66
    diethyl carbonate 85.72
    propanediol butyl ether 83.17
    triethyl orthoformate 87.63
    p-tert-butyltoluene 23.61
    methyl 4-tert-butylbenzoate 160.73
    morpholine 351.57
    tert-butylamine 50.49
    n-dodecanol 12.09
    dimethoxymethane 281.68
    ethylene carbonate 326.22
    cyrene 166.21
    2-ethoxyethyl acetate 273.14
    2-ethylhexyl acetate 102.38
    1,2,4-trichlorobenzene 383.33
    4-methylpyridine 409.62
    dibutyl ether 39.98
    2,6-dimethyl-4-heptanol 19.18
    DEF 438.33
    dimethyl isosorbide 243.05
    tetrachloroethylene 714.33
    eugenol 122.92
    triacetin 208.43
    span 80 91.68
    1,4-butanediol 41.99
    1,1-dichloroethane 594.37
    2-methyl-1-pentanol 80.84
    methyl formate 209.99
    2-methyl-1-butanol 96.81
    n-decane 2.55
    butyronitrile 120.95
    3,7-dimethyl-1-octanol 28.38
    1-chlorooctane 20.86
    1-chlorotetradecane 7.21
    n-nonane 2.08
    undecane 1.75
    tert-butylcyclohexane 6.52
    cyclooctane 3.8
    cyclopentanol 172.81
    tetrahydropyran 295.19
    tert-amyl methyl ether 140.42
    2,5,8-trioxanonane 211.82
    1-hexene 30.0
    2-isopropoxyethanol 130.65
    2,2,2-trifluoroethanol 282.19
    methyl butyrate 240.0

    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