Isopentyl caprylamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    546098-90-2

    Molecular formula
    C13H27NO

    SMILES
    CCCCCCCC(=O)NCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Cooling 44.4%
    Mint 43.79%
    Herbal 41.39%
    Cheesy 34.22%
    Savory 32.55%
    Fishy 31.42%
    Spicy 30.63%
    Meaty 30.34%
    Animal 25.72%
    Grapefruit 24.4%

     

    Flavor
    Herbal 38.03%
    Mild 26.23%
    Bland 25.11%
    Odorless 22.39%
    Oily 21.96%
    Fatty 20.93%
    Slightly waxy 20.7%
    Bay oil 20.1%
    Delicate 19.88%
    Cultured dairy 19.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.71 (neutral)

    Molecular weight
    213.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 127.56 ˚C est.

  • Synonyms

    • Isopentyl caprylamide
    • N-(3-methylbutyl)octanamide
    • 546098-90-2
    • Octanamide, N-(3-methylbutyl)-
    • 178G88R76G
    • Isopentyl caprylamide [INCI]
    • UNII-178G88R76G
    • SCHEMBL1695972
    • SCHEMBL7552558
    • AKOS003799291
    • Q27251886
    • 546098-90-2

  • Applications

    Isopentyl caprylamide (CAS 546098-90-2) is an N-substituted caprylamide used as an intermediate and processing aid in several industries. In cosmetics and personal care, it may serve as a conditioning agent or slip additive in formulations. In coatings, inks, and adhesives, it can function as a processing lubricant or softening component to improve handling and film formation. In polymers and plastics, it is evaluated as a lubricant additive or slip modifier to reduce friction during extrusion and molding. In industrial manufacturing, it can act as an intermediate for the synthesis of specialty chemicals, and in cleaning formulations it can be included as a surfactant-like component. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3602.97
    methanol 3636.08
    isopropanol 3150.59
    water 0.17
    ethyl acetate 2574.16
    n-propanol 2460.26
    acetone 4421.59
    n-butanol 2466.85
    acetonitrile 1404.19
    DMF 2355.56
    toluene 604.62
    isobutanol 1997.29
    1,4-dioxane 2372.48
    methyl acetate 1342.51
    THF 4775.57
    2-butanone 2465.41
    n-pentanol 1504.3
    sec-butanol 2114.97
    n-hexane 424.53
    ethylene glycol 192.97
    NMP 1996.17
    cyclohexane 584.75
    DMSO 3124.24
    n-butyl acetate 2503.21
    n-octanol 600.04
    chloroform 3390.5
    n-propyl acetate 1684.56
    acetic acid 2043.43
    dichloromethane 2946.2
    cyclohexanone 4140.61
    propylene glycol 524.12
    isopropyl acetate 1940.11
    DMAc 1579.03
    2-ethoxyethanol 1292.39
    isopentanol 2205.98
    n-heptane 183.07
    ethyl formate 1190.64
    1,2-dichloroethane 2104.74
    n-hexanol 1586.78
    2-methoxyethanol 2390.48
    isobutyl acetate 1077.73
    tetrachloromethane 527.04
    n-pentyl acetate 1331.39
    transcutol 4745.91
    n-heptanol 626.0
    ethylbenzene 348.38
    MIBK 1532.69
    2-propoxyethanol 1827.12
    tert-butanol 3027.97
    MTBE 2573.37
    2-butoxyethanol 1060.55
    propionic acid 1433.96
    o-xylene 420.1
    formic acid 378.95
    diethyl ether 2312.04
    m-xylene 477.33
    p-xylene 522.28
    chlorobenzene 1044.3
    dimethyl carbonate 294.52
    n-octane 63.25
    formamide 479.48
    cyclopentanone 3374.39
    2-pentanone 2648.52
    anisole 661.79
    cyclopentyl methyl ether 2265.83
    gamma-butyrolactone 3047.27
    1-methoxy-2-propanol 1995.89
    pyridine 2011.1
    3-pentanone 1340.63
    furfural 2028.15
    n-dodecane 38.62
    diethylene glycol 854.42
    diisopropyl ether 773.45
    tert-amyl alcohol 2113.4
    acetylacetone 2253.64
    n-hexadecane 46.57
    acetophenone 694.67
    methyl propionate 1195.32
    isopentyl acetate 2128.99
    trichloroethylene 3466.91
    n-nonanol 507.35
    cyclohexanol 2192.4
    benzyl alcohol 613.21
    2-ethylhexanol 953.1
    isooctanol 531.5
    dipropyl ether 1253.33
    1,2-dichlorobenzene 886.81
    ethyl lactate 489.68
    propylene carbonate 1791.22
    n-methylformamide 1058.6
    2-pentanol 1689.04
    n-pentane 254.09
    1-propoxy-2-propanol 1693.7
    1-methoxy-2-propyl acetate 1538.6
    2-(2-methoxypropoxy) propanol 769.51
    mesitylene 328.17
    ε-caprolactone 2841.97
    p-cymene 291.12
    epichlorohydrin 2886.56
    1,1,1-trichloroethane 2109.26
    2-aminoethanol 688.89
    morpholine-4-carbaldehyde 1855.51
    sulfolane 3230.23
    2,2,4-trimethylpentane 129.7
    2-methyltetrahydrofuran 3709.1
    n-hexyl acetate 1595.21
    isooctane 102.87
    2-(2-butoxyethoxy)ethanol 1268.48
    sec-butyl acetate 1235.72
    tert-butyl acetate 1888.79
    decalin 190.4
    glycerin 534.08
    diglyme 2210.34
    acrylic acid 856.93
    isopropyl myristate 458.27
    n-butyric acid 3334.78
    acetyl acetate 1296.22
    di(2-ethylhexyl) phthalate 381.62
    ethyl propionate 1140.25
    nitromethane 2396.88
    1,2-diethoxyethane 2000.41
    benzonitrile 963.05
    trioctyl phosphate 300.68
    1-bromopropane 1532.44
    gamma-valerolactone 3976.8
    n-decanol 334.41
    triethyl phosphate 410.94
    4-methyl-2-pentanol 911.91
    propionitrile 1241.97
    vinylene carbonate 1240.42
    1,1,2-trichlorotrifluoroethane 1736.13
    DMS 681.14
    cumene 265.92
    2-octanol 481.76
    2-hexanone 1728.64
    octyl acetate 561.87
    limonene 592.06
    1,2-dimethoxyethane 2412.49
    ethyl orthosilicate 446.34
    tributyl phosphate 427.91
    diacetone alcohol 1597.69
    N,N-dimethylaniline 434.93
    acrylonitrile 1089.15
    aniline 912.02
    1,3-propanediol 1449.65
    bromobenzene 1080.71
    dibromomethane 2169.25
    1,1,2,2-tetrachloroethane 2951.68
    2-methyl-cyclohexyl acetate 890.32
    tetrabutyl urea 490.24
    diisobutyl methanol 534.4
    2-phenylethanol 735.75
    styrene 470.51
    dioctyl adipate 610.14
    dimethyl sulfate 498.78
    ethyl butyrate 1412.25
    methyl lactate 524.77
    butyl lactate 879.77
    diethyl carbonate 652.11
    propanediol butyl ether 953.93
    triethyl orthoformate 823.82
    p-tert-butyltoluene 287.38
    methyl 4-tert-butylbenzoate 634.35
    morpholine 3475.18
    tert-butylamine 1798.89
    n-dodecanol 240.32
    dimethoxymethane 1299.77
    ethylene carbonate 1280.89
    cyrene 583.05
    2-ethoxyethyl acetate 1350.42
    2-ethylhexyl acetate 1519.28
    1,2,4-trichlorobenzene 1009.98
    4-methylpyridine 1975.97
    dibutyl ether 1173.13
    2,6-dimethyl-4-heptanol 534.4
    DEF 2082.33
    dimethyl isosorbide 1248.27
    tetrachloroethylene 1917.84
    eugenol 591.34
    triacetin 983.22
    span 80 849.52
    1,4-butanediol 467.18
    1,1-dichloroethane 2457.34
    2-methyl-1-pentanol 1264.32
    methyl formate 648.7
    2-methyl-1-butanol 1756.04
    n-decane 81.52
    butyronitrile 1968.19
    3,7-dimethyl-1-octanol 631.85
    1-chlorooctane 429.76
    1-chlorotetradecane 132.07
    n-nonane 85.95
    undecane 53.72
    tert-butylcyclohexane 173.44
    cyclooctane 127.87
    cyclopentanol 2103.17
    tetrahydropyran 4237.55
    tert-amyl methyl ether 1385.54
    2,5,8-trioxanonane 1232.97
    1-hexene 1365.75
    2-isopropoxyethanol 1038.09
    2,2,2-trifluoroethanol 419.69
    methyl butyrate 1772.37

    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