Isoamyl palmitate

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  • Identifiers

    CAS number
    81974-61-0

    Molecular formula
    C21H42O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCC(C)C

  • Odor profile

    Fragrance
    Waxy 74.92%
    Fatty 70.89%
    Oily 64.59%
    Creamy 33.79%
    Odorless 31.39%
    Sweet 29.33%
    Fruity 28.64%
    Dairy 25.89%
    Soapy 23.44%
    Milky 23.22%

     

    Flavor
    Waxy 61.63%
    Oily 54.26%
    Fatty 49.66%
    Mild 44.36%
    Soapy 38.1%
    Fat 34.58%
    Coconut 34.56%
    Creamy 31.01%
    Bland 30.78%
    Faint 29.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.13 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Flash point

    • 162.21 ˚C est.

  • Synonyms

    • 3-Methylbutyl hexadecanoate
    • isoamyl palmitate
    • 81974-61-0
    • 3-Methylbutyl palmitate
    • Hexadecanoic acid, 3-methylbutyl ester
    • 464H5ENW74
    • EINECS 279-864-8
    • Hexadecanoic acid,3-methylbutyl ester
    • UNII-464H5ENW74
    • Isopentyl hexadecanoate
    • 3-Methyl-2-butenyl hexadecanoate
    • DTXSID70868634
    • WE(4:1(2)(3Me)/16:0)
    • isopentyl palmitate
    • SCHEMBL2032699
    • DTXCID80816722
    • LMFA07010576
    • NS00059762
    • Q27258896

  • Applications

    Isoamyl palmitate (CAS 81974-61-0) is an ester of isoamyl alcohol and palmitic acid, primarily used in fragrance and personal care formulations. In perfumery/fragrance, it serves as a fragrance ingredient and can function as a fixative to help retain aroma; in cosmetics/personal care, it acts as an emollient and conditioning agent for creams, lotions, and related products. In food processing, it may be used as a flavor/aroma ingredient, contributing to fruity or banana-like notes where permitted; in household products, it is included as a fragrance component in cleaners, detergents, and air fresheners. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 277.75
    methanol 208.07
    isopropanol 446.83
    water 0.05
    ethyl acetate 1959.12
    n-propanol 411.23
    acetone 1224.6
    n-butanol 546.44
    acetonitrile 431.2
    DMF 1085.58
    toluene 713.73
    isobutanol 486.55
    1,4-dioxane 1481.43
    methyl acetate 970.68
    THF 3304.04
    2-butanone 1468.13
    n-pentanol 359.16
    sec-butanol 585.8
    n-hexane 273.81
    ethylene glycol 10.78
    NMP 2403.87
    cyclohexane 1342.86
    DMSO 1111.0
    n-butyl acetate 2064.81
    n-octanol 439.43
    chloroform 3646.96
    n-propyl acetate 2111.79
    acetic acid 428.32
    dichloromethane 3795.88
    cyclohexanone 4528.28
    propylene glycol 49.32
    isopropyl acetate 1826.75
    DMAc 1812.42
    2-ethoxyethanol 571.67
    isopentanol 737.4
    n-heptane 249.52
    ethyl formate 672.46
    1,2-dichloroethane 2747.44
    n-hexanol 382.8
    2-methoxyethanol 587.24
    isobutyl acetate 1351.06
    tetrachloromethane 932.96
    n-pentyl acetate 2366.63
    transcutol 3075.16
    n-heptanol 369.95
    ethylbenzene 511.46
    MIBK 1577.17
    2-propoxyethanol 669.92
    tert-butanol 805.47
    MTBE 1523.99
    2-butoxyethanol 812.22
    propionic acid 484.19
    o-xylene 651.8
    formic acid 47.59
    diethyl ether 1218.76
    m-xylene 551.75
    p-xylene 838.24
    chlorobenzene 1304.3
    dimethyl carbonate 263.22
    n-octane 114.9
    formamide 117.22
    cyclopentanone 3439.79
    2-pentanone 1801.7
    anisole 901.68
    cyclopentyl methyl ether 2290.24
    gamma-butyrolactone 2939.95
    1-methoxy-2-propanol 760.22
    pyridine 1721.74
    3-pentanone 1349.17
    furfural 1724.78
    n-dodecane 56.49
    diethylene glycol 197.33
    diisopropyl ether 675.0
    tert-amyl alcohol 912.43
    acetylacetone 1890.26
    n-hexadecane 72.63
    acetophenone 1098.22
    methyl propionate 1097.69
    isopentyl acetate 2046.13
    trichloroethylene 4269.32
    n-nonanol 443.03
    cyclohexanol 1354.13
    benzyl alcohol 469.55
    2-ethylhexanol 533.29
    isooctanol 442.67
    dipropyl ether 1215.66
    1,2-dichlorobenzene 1468.2
    ethyl lactate 468.81
    propylene carbonate 1718.33
    n-methylformamide 380.07
    2-pentanol 582.87
    n-pentane 185.1
    1-propoxy-2-propanol 889.35
    1-methoxy-2-propyl acetate 1531.49
    2-(2-methoxypropoxy) propanol 665.16
    mesitylene 452.82
    ε-caprolactone 3423.17
    p-cymene 426.39
    epichlorohydrin 2993.46
    1,1,1-trichloroethane 3446.01
    2-aminoethanol 65.77
    morpholine-4-carbaldehyde 1880.14
    sulfolane 3616.05
    2,2,4-trimethylpentane 165.68
    2-methyltetrahydrofuran 3058.13
    n-hexyl acetate 2199.86
    isooctane 103.0
    2-(2-butoxyethoxy)ethanol 963.99
    sec-butyl acetate 1695.95
    tert-butyl acetate 2206.04
    decalin 357.12
    glycerin 72.21
    diglyme 2315.42
    acrylic acid 258.03
    isopropyl myristate 675.96
    n-butyric acid 1522.53
    acetyl acetate 1050.9
    di(2-ethylhexyl) phthalate 415.51
    ethyl propionate 1672.24
    nitromethane 1069.57
    1,2-diethoxyethane 1860.48
    benzonitrile 845.78
    trioctyl phosphate 335.83
    1-bromopropane 1824.44
    gamma-valerolactone 4027.09
    n-decanol 277.65
    triethyl phosphate 677.89
    4-methyl-2-pentanol 439.38
    propionitrile 580.04
    vinylene carbonate 1241.22
    1,1,2-trichlorotrifluoroethane 1394.38
    DMS 921.1
    cumene 372.32
    2-octanol 433.31
    2-hexanone 1584.58
    octyl acetate 787.38
    limonene 923.36
    1,2-dimethoxyethane 1843.99
    ethyl orthosilicate 698.04
    tributyl phosphate 478.22
    diacetone alcohol 1396.02
    N,N-dimethylaniline 631.98
    acrylonitrile 498.06
    aniline 634.63
    1,3-propanediol 210.94
    bromobenzene 1593.23
    dibromomethane 2532.83
    1,1,2,2-tetrachloroethane 4081.87
    2-methyl-cyclohexyl acetate 1313.23
    tetrabutyl urea 708.87
    diisobutyl methanol 429.0
    2-phenylethanol 477.72
    styrene 624.9
    dioctyl adipate 941.24
    dimethyl sulfate 568.14
    ethyl butyrate 1944.16
    methyl lactate 314.73
    butyl lactate 1077.58
    diethyl carbonate 875.58
    propanediol butyl ether 558.82
    triethyl orthoformate 1331.06
    p-tert-butyltoluene 392.21
    methyl 4-tert-butylbenzoate 1105.01
    morpholine 2071.57
    tert-butylamine 605.96
    n-dodecanol 194.22
    dimethoxymethane 777.26
    ethylene carbonate 1332.99
    cyrene 639.75
    2-ethoxyethyl acetate 1884.96
    2-ethylhexyl acetate 1749.66
    1,2,4-trichlorobenzene 1622.63
    4-methylpyridine 1933.77
    dibutyl ether 1590.5
    2,6-dimethyl-4-heptanol 429.0
    DEF 2115.27
    dimethyl isosorbide 1575.53
    tetrachloroethylene 2514.3
    eugenol 721.93
    triacetin 1625.16
    span 80 747.0
    1,4-butanediol 79.74
    1,1-dichloroethane 2709.28
    2-methyl-1-pentanol 497.65
    methyl formate 266.13
    2-methyl-1-butanol 630.57
    n-decane 143.68
    butyronitrile 897.97
    3,7-dimethyl-1-octanol 550.2
    1-chlorooctane 689.9
    1-chlorotetradecane 195.63
    n-nonane 145.05
    undecane 82.84
    tert-butylcyclohexane 246.74
    cyclooctane 304.91
    cyclopentanol 1111.26
    tetrahydropyran 3164.97
    tert-amyl methyl ether 1284.96
    2,5,8-trioxanonane 1194.11
    1-hexene 620.03
    2-isopropoxyethanol 593.32
    2,2,2-trifluoroethanol 172.36
    methyl butyrate 2318.66

    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