1-(1-Pyrrolidinyl)-1-hexadecanone

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  • Identifiers

    CAS number
    70974-48-0

    Molecular formula
    C20H39NO

    SMILES
    CCCCCCCCCCCCCCCC(=O)N1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 52.24%
    Fatty 39.37%
    Oily 35.31%
    Animal 29.6%
    Woody 29.2%
    Fresh 28.33%
    Meaty 26.91%
    Fishy 26.18%
    Odorless 25.56%
    Savory 24.94%

     

    Flavor
    Waxy 35.35%
    Fatty 34.78%
    Mild 30.75%
    Bland 30.13%
    Faint 25.47%
    Oily 24.87%
    Odorless 24.22%
    Slightly waxy 23.36%
    Fat 22.74%
    Bay oil 21.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    7.66 (neutral)

    Molecular weight
    309.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    413°C

    Flash point

    • 182.78 ˚C est.

  • Synonyms

    • 70974-48-0
    • 1-(1-Pyrrolidinyl)-1-hexadecanone
    • RefChem:1053771
    • 1-Hexadecanoylpyrrolidine
    • 1-pyrrolidin-1-ylhexadecan-1-one
    • 1-(Pyrrolidin-1-yl)hexadecan-1-one
    • N-Hexadecanoylpyrrolidine
    • L9VH2AR5CQ
    • Pyrrolidine, 1-palmitoyl-
    • N-Pyrrolidinyl-hexadecanamide
    • NSC-61588
    • Pyrrolidine, 1-(1-oxohexadecyl)-
    • UNII-L9VH2AR5CQ
    • 1-Hexadecanone, 1-(1-pyrrolidinyl)-
    • Alkaloid MQ-B2
    • NSC61588
    • Hexadecanoylpyrrolidine
    • N-Palmitoylpyrrolidine
    • Hexadecanoic acid pyrrolidide
    • NCIOpen2_007904
    • Hexadecanoic acid, pyrrolidide
    • orb2893687
    • CHEMBL1223443
    • SCHEMBL10534171
    • DTXSID80289492
    • CHEBI:172539
    • ULDNZNZTSYZQKK-UHFFFAOYSA-N
    • AS-77702
    • D97200
    • 70974-48-0

  • Applications

    Primarily used as an organic synthesis intermediate, 1-(1-Pyrrolidinyl)-1-hexadecanone serves as a building block for N-substituted pyrrolidine derivatives in pharmaceutical and agrochemical research. It is also evaluated for fragrance and cosmetic applications as an odorant and potential fixative, leveraging its long aliphatic chain and pyrrolidinyl ketone motif. In industrial manufacturing, it can function as a specialty intermediate for polymers and coatings, as well as other formulation components. Additionally, it may serve as a precursor in the synthesis of more complex amine-containing compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 453.17
    methanol 437.16
    isopropanol 540.45
    water 0.25
    ethyl acetate 1967.99
    n-propanol 589.84
    acetone 1338.6
    n-butanol 720.93
    acetonitrile 697.0
    DMF 1348.76
    toluene 632.88
    isobutanol 577.8
    1,4-dioxane 1299.6
    methyl acetate 1118.54
    THF 2568.68
    2-butanone 1525.53
    n-pentanol 422.91
    sec-butanol 652.25
    n-hexane 166.35
    ethylene glycol 26.43
    NMP 2076.62
    cyclohexane 661.39
    DMSO 972.52
    n-butyl acetate 1722.74
    n-octanol 362.27
    chloroform 4518.39
    n-propyl acetate 1907.95
    acetic acid 696.03
    dichloromethane 4444.03
    cyclohexanone 3726.05
    propylene glycol 80.89
    isopropyl acetate 1676.4
    DMAc 1735.75
    2-ethoxyethanol 663.42
    isopentanol 791.5
    n-heptane 141.24
    ethyl formate 941.79
    1,2-dichloroethane 2579.86
    n-hexanol 376.41
    2-methoxyethanol 790.99
    isobutyl acetate 1249.15
    tetrachloromethane 1049.32
    n-pentyl acetate 1944.38
    transcutol 2340.4
    n-heptanol 350.85
    ethylbenzene 394.57
    MIBK 1241.23
    2-propoxyethanol 674.1
    tert-butanol 690.08
    MTBE 1135.72
    2-butoxyethanol 813.86
    propionic acid 719.52
    o-xylene 484.42
    formic acid 121.9
    diethyl ether 1105.33
    m-xylene 440.28
    p-xylene 617.29
    chlorobenzene 1272.13
    dimethyl carbonate 343.51
    n-octane 62.65
    formamide 258.67
    cyclopentanone 2931.87
    2-pentanone 1679.39
    anisole 739.04
    cyclopentyl methyl ether 1593.96
    gamma-butyrolactone 2924.2
    1-methoxy-2-propanol 796.28
    pyridine 1807.94
    3-pentanone 1288.81
    furfural 1935.64
    n-dodecane 38.44
    diethylene glycol 251.19
    diisopropyl ether 466.69
    tert-amyl alcohol 710.58
    acetylacetone 1677.76
    n-hexadecane 48.09
    acetophenone 971.52
    methyl propionate 1170.93
    isopentyl acetate 1532.56
    trichloroethylene 4299.35
    n-nonanol 351.37
    cyclohexanol 1207.85
    benzyl alcohol 506.71
    2-ethylhexanol 422.22
    isooctanol 379.48
    dipropyl ether 874.72
    1,2-dichlorobenzene 1333.39
    ethyl lactate 509.59
    propylene carbonate 1955.23
    n-methylformamide 637.04
    2-pentanol 600.95
    n-pentane 135.92
    1-propoxy-2-propanol 759.53
    1-methoxy-2-propyl acetate 1170.32
    2-(2-methoxypropoxy) propanol 553.79
    mesitylene 337.45
    ε-caprolactone 3079.59
    p-cymene 308.94
    epichlorohydrin 2641.16
    1,1,1-trichloroethane 3108.3
    2-aminoethanol 126.52
    morpholine-4-carbaldehyde 1524.0
    sulfolane 2848.71
    2,2,4-trimethylpentane 100.74
    2-methyltetrahydrofuran 2261.94
    n-hexyl acetate 1595.2
    isooctane 59.12
    2-(2-butoxyethoxy)ethanol 810.16
    sec-butyl acetate 1375.19
    tert-butyl acetate 1625.97
    decalin 189.0
    glycerin 127.28
    diglyme 1872.75
    acrylic acid 457.12
    isopropyl myristate 496.24
    n-butyric acid 1823.79
    acetyl acetate 1188.71
    di(2-ethylhexyl) phthalate 367.42
    ethyl propionate 1503.54
    nitromethane 1490.49
    1,2-diethoxyethane 1420.67
    benzonitrile 953.27
    trioctyl phosphate 283.27
    1-bromopropane 1673.98
    gamma-valerolactone 3385.1
    n-decanol 221.02
    triethyl phosphate 592.65
    4-methyl-2-pentanol 395.76
    propionitrile 826.76
    vinylene carbonate 1517.96
    1,1,2-trichlorotrifluoroethane 1597.04
    DMS 823.5
    cumene 287.03
    2-octanol 351.27
    2-hexanone 1304.09
    octyl acetate 601.93
    limonene 576.68
    1,2-dimethoxyethane 1605.19
    ethyl orthosilicate 581.64
    tributyl phosphate 408.57
    diacetone alcohol 1034.62
    N,N-dimethylaniline 483.11
    acrylonitrile 804.41
    aniline 711.68
    1,3-propanediol 353.13
    bromobenzene 1478.12
    dibromomethane 2790.61
    1,1,2,2-tetrachloroethane 3656.4
    2-methyl-cyclohexyl acetate 970.76
    tetrabutyl urea 554.01
    diisobutyl methanol 291.13
    2-phenylethanol 453.03
    styrene 508.32
    dioctyl adipate 714.0
    dimethyl sulfate 597.49
    ethyl butyrate 1564.24
    methyl lactate 371.71
    butyl lactate 968.67
    diethyl carbonate 849.95
    propanediol butyl ether 537.69
    triethyl orthoformate 1071.62
    p-tert-butyltoluene 265.94
    methyl 4-tert-butylbenzoate 878.12
    morpholine 1757.51
    tert-butylamine 488.83
    n-dodecanol 155.08
    dimethoxymethane 801.74
    ethylene carbonate 1618.37
    cyrene 565.56
    2-ethoxyethyl acetate 1621.1
    2-ethylhexyl acetate 1320.21
    1,2,4-trichlorobenzene 1509.47
    4-methylpyridine 1795.66
    dibutyl ether 1017.82
    2,6-dimethyl-4-heptanol 291.13
    DEF 2001.9
    dimethyl isosorbide 1063.86
    tetrachloroethylene 2578.27
    eugenol 663.02
    triacetin 1294.64
    span 80 563.24
    1,4-butanediol 131.53
    1,1-dichloroethane 2653.95
    2-methyl-1-pentanol 515.03
    methyl formate 434.24
    2-methyl-1-butanol 734.28
    n-decane 86.82
    butyronitrile 1151.7
    3,7-dimethyl-1-octanol 405.96
    1-chlorooctane 448.27
    1-chlorotetradecane 137.83
    n-nonane 83.66
    undecane 53.47
    tert-butylcyclohexane 135.28
    cyclooctane 148.38
    cyclopentanol 1037.28
    tetrahydropyran 2324.27
    tert-amyl methyl ether 932.5
    2,5,8-trioxanonane 939.47
    1-hexene 467.77
    2-isopropoxyethanol 628.4
    2,2,2-trifluoroethanol 349.4
    methyl butyrate 2155.99

    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