Palmitoyl Isoleucine

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  • Identifiers

    CAS number
    54617-29-7

    Molecular formula
    C22H43NO3

    SMILES
    CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.03%
    Savory 33.84%
    Waxy 32.13%
    Cooling 30.75%
    Herbal 30.4%
    Meaty 29.5%
    Fatty 28.84%
    Woody 27.13%
    Mint 25.51%
    Oily 25.48%

     

    Flavor
    Bland 38.14%
    Odorless 35.61%
    Mild 31.31%
    Faint 24.41%
    Herbal 22.56%
    Slightly waxy 21.55%
    Bay oil 20.33%
    Delicate 20.02%
    Cedarleaf 19.73%
    Fatty 19.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    6.97 (neutral)

    Molecular weight
    369.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    472°C

    Flash point

    • 218.0 ˚C est.

  • Synonyms

    • Palmitoyl isoleucine
    • 54617-29-7
    • Voluform
    • N-Palmitoyl-L-isoleucine
    • L-Isoleucine, N-(1-oxohexadecyl)-
    • DTXSID60203050
    • Isoleucine, N-(1-oxohexadecyl)-
    • DTXSID401020251
    • 957769006D
    • RefChem:858427
    • DTXCID60125541
    • DTXCID701527068
    • PALMITOYL ISOLEUCINE [INCI]
    • palmitoyl-L-isoleucine
    • N-palmitoyl isoleucine
    • N-hexadecanoyl-isoleucine
    • (2S,3S)-2-(hexadecanoylamino)-3-methylpentanoic acid
    • N-Hexadecanoyl-L-isoleucine
    • UNII-957769006D
    • starbld0010583
    • 101541-04-2
    • SCHEMBL897944
    • orb1985499
    • CHEBI:165554
    • NGYZAEAXQQNUBZ-FPOVZHCZSA-N
    • LMFA08020112
    • AKOS040753419
    • Q27271751
    • 54617-29-7

  • Applications

    Palmitoyl Isoleucine (CAS 54617-29-7) is a lipidated amino acid derivative commonly used as a lipophilic ingredient in cosmetics and personal care formulations. Real-world applications include: (1) emollient and skin and hair conditioning; (2) light surfactant or co-emulsifier in cosmetic systems; (3) an intermediate or building block for lipidated peptides and lipid-based drug delivery constructs; (4) an additive for polymers to improve compatibility and lubricity in plastics and materials manufacturing; (5) potential use in pharmaceutical delivery systems or lipid-friendly carrier formulations, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.24
    methanol 121.9
    isopropanol 86.43
    water 0.4
    ethyl acetate 119.45
    n-propanol 94.11
    acetone 142.82
    n-butanol 84.03
    acetonitrile 44.65
    DMF 285.68
    toluene 48.38
    isobutanol 83.04
    1,4-dioxane 169.17
    methyl acetate 107.6
    THF 471.29
    2-butanone 173.48
    n-pentanol 78.52
    sec-butanol 105.69
    n-hexane 9.94
    ethylene glycol 8.24
    NMP 578.04
    cyclohexane 31.85
    DMSO 371.32
    n-butyl acetate 158.59
    n-octanol 61.2
    chloroform 236.88
    n-propyl acetate 158.01
    acetic acid 109.74
    dichloromethane 240.94
    cyclohexanone 471.49
    propylene glycol 27.5
    isopropyl acetate 125.07
    DMAc 563.22
    2-ethoxyethanol 156.76
    isopentanol 101.46
    n-heptane 5.94
    ethyl formate 82.31
    1,2-dichloroethane 213.64
    n-hexanol 58.22
    2-methoxyethanol 164.18
    isobutyl acetate 111.27
    tetrachloromethane 63.97
    n-pentyl acetate 233.74
    transcutol 537.65
    n-heptanol 68.22
    ethylbenzene 40.59
    MIBK 133.78
    2-propoxyethanol 135.05
    tert-butanol 131.17
    MTBE 134.95
    2-butoxyethanol 187.91
    propionic acid 100.83
    o-xylene 52.41
    formic acid 37.25
    diethyl ether 76.06
    m-xylene 39.97
    p-xylene 63.49
    chlorobenzene 93.56
    dimethyl carbonate 46.18
    n-octane 5.31
    formamide 76.06
    cyclopentanone 449.92
    2-pentanone 152.14
    anisole 81.4
    cyclopentyl methyl ether 195.4
    gamma-butyrolactone 401.32
    1-methoxy-2-propanol 153.77
    pyridine 179.69
    3-pentanone 124.11
    furfural 271.54
    n-dodecane 3.15
    diethylene glycol 64.6
    diisopropyl ether 34.06
    tert-amyl alcohol 154.53
    acetylacetone 197.17
    n-hexadecane 3.71
    acetophenone 129.05
    methyl propionate 105.15
    isopentyl acetate 179.2
    trichloroethylene 333.02
    n-nonanol 60.29
    cyclohexanol 148.49
    benzyl alcohol 80.57
    2-ethylhexanol 49.44
    isooctanol 66.54
    dipropyl ether 54.97
    1,2-dichlorobenzene 106.34
    ethyl lactate 73.01
    propylene carbonate 222.94
    n-methylformamide 112.62
    2-pentanol 67.15
    n-pentane 6.67
    1-propoxy-2-propanol 122.16
    1-methoxy-2-propyl acetate 160.56
    2-(2-methoxypropoxy) propanol 130.82
    mesitylene 31.31
    ε-caprolactone 397.47
    p-cymene 29.17
    epichlorohydrin 365.28
    1,1,1-trichloroethane 201.34
    2-aminoethanol 38.63
    morpholine-4-carbaldehyde 334.53
    sulfolane 664.35
    2,2,4-trimethylpentane 10.19
    2-methyltetrahydrofuran 322.8
    n-hexyl acetate 203.7
    isooctane 4.87
    2-(2-butoxyethoxy)ethanol 197.41
    sec-butyl acetate 124.1
    tert-butyl acetate 179.61
    decalin 16.57
    glycerin 42.77
    diglyme 404.75
    acrylic acid 69.49
    isopropyl myristate 57.12
    n-butyric acid 190.84
    acetyl acetate 84.07
    di(2-ethylhexyl) phthalate 63.85
    ethyl propionate 117.96
    nitromethane 184.25
    1,2-diethoxyethane 181.36
    benzonitrile 85.18
    trioctyl phosphate 49.99
    1-bromopropane 106.2
    gamma-valerolactone 569.8
    n-decanol 37.0
    triethyl phosphate 67.22
    4-methyl-2-pentanol 51.04
    propionitrile 54.55
    vinylene carbonate 159.24
    1,1,2-trichlorotrifluoroethane 250.16
    DMS 108.08
    cumene 33.37
    2-octanol 57.9
    2-hexanone 151.59
    octyl acetate 82.11
    limonene 51.19
    1,2-dimethoxyethane 271.84
    ethyl orthosilicate 68.04
    tributyl phosphate 61.9
    diacetone alcohol 206.61
    N,N-dimethylaniline 72.07
    acrylonitrile 56.87
    aniline 69.11
    1,3-propanediol 75.19
    bromobenzene 90.2
    dibromomethane 160.47
    1,1,2,2-tetrachloroethane 351.42
    2-methyl-cyclohexyl acetate 118.24
    tetrabutyl urea 96.69
    diisobutyl methanol 35.02
    2-phenylethanol 74.58
    styrene 43.64
    dioctyl adipate 100.63
    dimethyl sulfate 114.79
    ethyl butyrate 115.96
    methyl lactate 69.11
    butyl lactate 167.3
    diethyl carbonate 65.63
    propanediol butyl ether 142.65
    triethyl orthoformate 91.98
    p-tert-butyltoluene 28.78
    methyl 4-tert-butylbenzoate 160.86
    morpholine 272.73
    tert-butylamine 70.78
    n-dodecanol 24.56
    dimethoxymethane 128.04
    ethylene carbonate 152.43
    cyrene 150.88
    2-ethoxyethyl acetate 244.33
    2-ethylhexyl acetate 135.57
    1,2,4-trichlorobenzene 135.94
    4-methylpyridine 166.96
    dibutyl ether 80.89
    2,6-dimethyl-4-heptanol 35.02
    DEF 226.37
    dimethyl isosorbide 253.4
    tetrachloroethylene 235.03
    eugenol 142.94
    triacetin 182.63
    span 80 126.7
    1,4-butanediol 37.59
    1,1-dichloroethane 162.19
    2-methyl-1-pentanol 96.33
    methyl formate 70.52
    2-methyl-1-butanol 96.07
    n-decane 7.17
    butyronitrile 69.67
    3,7-dimethyl-1-octanol 58.72
    1-chlorooctane 44.12
    1-chlorotetradecane 11.95
    n-nonane 6.56
    undecane 4.44
    tert-butylcyclohexane 12.17
    cyclooctane 7.3
    cyclopentanol 162.46
    tetrahydropyran 257.24
    tert-amyl methyl ether 119.36
    2,5,8-trioxanonane 213.1
    1-hexene 36.48
    2-isopropoxyethanol 129.24
    2,2,2-trifluoroethanol 58.82
    methyl butyrate 188.07

    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