3,5-Didecanoylpyridine

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  • Identifiers

    CAS number
    149682-93-9

    Molecular formula
    C25H41NO2

    SMILES
    CCCCCCCCCC(=O)C1=CC(=CN=C1)C(=O)CCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 44.79%
    Fatty 44.36%
    Oily 35.65%
    Milky 31.28%
    Lactonic 30.32%
    Floral 30.07%
    Herbal 29.6%
    Jasmin 28.99%
    Fresh 28.88%
    Dairy 27.83%

     

    Flavor
    Herbal 41.53%
    Bland 27.83%
    Waxy 25.11%
    Mild 24.14%
    Oily 23.9%
    Odorless 23.4%
    Woody 22.53%
    Slightly waxy 21.2%
    Lovage 21.19%
    Fatty 21.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    7.77 (neutral)

    Molecular weight
    387.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Flash point

    • 211.96 ˚C est.

  • Synonyms

    • 3,5-didecanoylpyridine
    • CHEBI:186954
    • DTXSID301296532
    • 1,1'-(Pyridine-3,5-diyl)di(decan-1-one)
    • 1,1a(2)-(3,5-Pyridinediyl)bis[1-decanone]
    • 1,1'-(3,5-Pyridinediyl)bis-1-decanone, 9CI
    • 1-(5-DECANOYLPYRIDIN-3-YL)DECAN-1-ONE
    • 149682-93-9
    • 149682-93-9

  • Applications

    3,5-Didecanoylpyridine (CAS 149682-93-9) is typically used as a synthetic intermediate and building block in organic synthesis. In pharmaceutical and agrochemical development, it may serve as a precursor for the synthesis of more complex heterocycles and target molecules. In fragrance and cosmetics chemistry, its decanoyl substituents on a pyridine scaffold can be explored as a framework for functionalized fragrance components. In polymers and coatings, it can function as a lipophilic building block or as a specialty monomer/additive in niche formulations. In electronics and advanced materials, it is occasionally evaluated as a precursor for heteroaromatic materials and dye/pigment-related applications. Overall, its role is primarily that of an intermediate, with use guided by regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.79
    methanol 157.79
    isopropanol 119.04
    water 1.09
    ethyl acetate 700.95
    n-propanol 173.38
    acetone 684.85
    n-butanol 179.12
    acetonitrile 310.28
    DMF 971.47
    toluene 372.68
    isobutanol 164.85
    1,4-dioxane 473.82
    methyl acetate 568.46
    THF 1114.63
    2-butanone 735.12
    n-pentanol 120.35
    sec-butanol 170.3
    n-hexane 20.14
    ethylene glycol 17.88
    NMP 2026.78
    cyclohexane 96.72
    DMSO 762.61
    n-butyl acetate 390.33
    n-octanol 61.61
    chloroform 1805.3
    n-propyl acetate 519.63
    acetic acid 402.9
    dichloromethane 2304.1
    cyclohexanone 1723.22
    propylene glycol 43.38
    isopropyl acetate 482.25
    DMAc 1758.07
    2-ethoxyethanol 251.27
    isopentanol 196.68
    n-heptane 11.85
    ethyl formate 335.3
    1,2-dichloroethane 1635.92
    n-hexanol 80.18
    2-methoxyethanol 340.57
    isobutyl acetate 295.41
    tetrachloromethane 391.74
    n-pentyl acetate 521.68
    transcutol 1027.05
    n-heptanol 81.09
    ethylbenzene 151.03
    MIBK 419.4
    2-propoxyethanol 217.84
    tert-butanol 170.55
    MTBE 275.87
    2-butoxyethanol 260.42
    propionic acid 393.22
    o-xylene 267.37
    formic acid 105.58
    diethyl ether 267.47
    m-xylene 222.91
    p-xylene 229.18
    chlorobenzene 698.26
    dimethyl carbonate 290.11
    n-octane 7.15
    formamide 273.71
    cyclopentanone 1765.83
    2-pentanone 626.16
    anisole 301.02
    cyclopentyl methyl ether 674.22
    gamma-butyrolactone 1840.68
    1-methoxy-2-propanol 319.24
    pyridine 942.98
    3-pentanone 633.38
    furfural 1215.47
    n-dodecane 4.68
    diethylene glycol 113.3
    diisopropyl ether 98.6
    tert-amyl alcohol 211.71
    acetylacetone 885.14
    n-hexadecane 5.8
    acetophenone 471.85
    methyl propionate 611.22
    isopentyl acetate 376.56
    trichloroethylene 2743.09
    n-nonanol 65.61
    cyclohexanol 396.3
    benzyl alcohol 246.7
    2-ethylhexanol 81.88
    isooctanol 89.14
    dipropyl ether 141.96
    1,2-dichlorobenzene 718.68
    ethyl lactate 192.7
    propylene carbonate 972.64
    n-methylformamide 449.06
    2-pentanol 137.27
    n-pentane 18.18
    1-propoxy-2-propanol 201.01
    1-methoxy-2-propyl acetate 426.5
    2-(2-methoxypropoxy) propanol 192.13
    mesitylene 133.26
    ε-caprolactone 1413.73
    p-cymene 82.46
    epichlorohydrin 1673.78
    1,1,1-trichloroethane 1433.38
    2-aminoethanol 66.81
    morpholine-4-carbaldehyde 1063.62
    sulfolane 2331.07
    2,2,4-trimethylpentane 22.18
    2-methyltetrahydrofuran 868.79
    n-hexyl acetate 390.58
    isooctane 9.69
    2-(2-butoxyethoxy)ethanol 272.95
    sec-butyl acetate 364.12
    tert-butyl acetate 527.86
    decalin 36.0
    glycerin 75.95
    diglyme 739.3
    acrylic acid 340.76
    isopropyl myristate 100.47
    n-butyric acid 657.84
    acetyl acetate 485.92
    di(2-ethylhexyl) phthalate 114.23
    ethyl propionate 468.14
    nitromethane 983.9
    1,2-diethoxyethane 382.19
    benzonitrile 384.43
    trioctyl phosphate 74.25
    1-bromopropane 626.69
    gamma-valerolactone 2068.43
    n-decanol 41.23
    triethyl phosphate 172.5
    4-methyl-2-pentanol 88.84
    propionitrile 319.77
    vinylene carbonate 789.23
    1,1,2-trichlorotrifluoroethane 1059.39
    DMS 391.98
    cumene 93.81
    2-octanol 65.69
    2-hexanone 420.21
    octyl acetate 139.69
    limonene 136.05
    1,2-dimethoxyethane 491.97
    ethyl orthosilicate 166.11
    tributyl phosphate 112.68
    diacetone alcohol 480.83
    N,N-dimethylaniline 206.01
    acrylonitrile 398.06
    aniline 408.11
    1,3-propanediol 131.48
    bromobenzene 745.07
    dibromomethane 1241.18
    1,1,2,2-tetrachloroethane 2262.85
    2-methyl-cyclohexyl acetate 272.3
    tetrabutyl urea 159.02
    diisobutyl methanol 55.54
    2-phenylethanol 169.31
    styrene 209.54
    dioctyl adipate 197.32
    dimethyl sulfate 605.86
    ethyl butyrate 349.46
    methyl lactate 244.64
    butyl lactate 314.29
    diethyl carbonate 208.44
    propanediol butyl ether 173.51
    triethyl orthoformate 228.66
    p-tert-butyltoluene 72.62
    methyl 4-tert-butylbenzoate 361.89
    morpholine 705.86
    tert-butylamine 106.89
    n-dodecanol 28.22
    dimethoxymethane 486.16
    ethylene carbonate 706.1
    cyrene 302.44
    2-ethoxyethyl acetate 683.5
    2-ethylhexyl acetate 304.99
    1,2,4-trichlorobenzene 903.59
    4-methylpyridine 894.1
    dibutyl ether 133.77
    2,6-dimethyl-4-heptanol 55.54
    DEF 940.53
    dimethyl isosorbide 505.18
    tetrachloroethylene 1524.97
    eugenol 278.51
    triacetin 488.02
    span 80 174.75
    1,4-butanediol 57.31
    1,1-dichloroethane 1199.65
    2-methyl-1-pentanol 144.63
    methyl formate 307.9
    2-methyl-1-butanol 211.8
    n-decane 9.71
    butyronitrile 300.58
    3,7-dimethyl-1-octanol 76.59
    1-chlorooctane 72.12
    1-chlorotetradecane 20.79
    n-nonane 8.55
    undecane 6.28
    tert-butylcyclohexane 23.84
    cyclooctane 19.22
    cyclopentanol 382.41
    tetrahydropyran 696.39
    tert-amyl methyl ether 274.48
    2,5,8-trioxanonane 365.53
    1-hexene 86.41
    2-isopropoxyethanol 210.39
    2,2,2-trifluoroethanol 284.64
    methyl butyrate 643.14

    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