Isohexyl Palmitate

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  • Identifiers

    CAS number
    59219-72-6

    Molecular formula
    C22H44O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.89%
    Fatty 64.83%
    Oily 60.58%
    Odorless 33.95%
    Creamy 28.84%
    Fruity 26.48%
    Sweet 25.72%
    Milky 21.87%
    Soapy 21.56%
    Dairy 21.37%

     

    Flavor
    Waxy 58.19%
    Oily 50.62%
    Fatty 46.71%
    Mild 42.07%
    Soapy 35.22%
    Fat 33.79%
    Coconut 32.18%
    Bland 30.76%
    Faint 29.96%
    Creamy 27.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    7.6 (neutral)

    Molecular weight
    340.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Flash point

    • 173.84 ˚C est.

  • Synonyms

    • ISOHEXYL PALMITATE
    • 3Y78JLN0X4
    • 59219-72-6
    • Isohexyl palmitate [INCI]
    • Hexadecanoic acid, 4-methylpentyl ester
    • RefChem:791880
    • 4-METHYLPENTYL HEXADECANOATE
    • UNII-3Y78JLN0X4
    • 55194-91-7
    • SCHEMBL321790
    • DTXSID20619491
    • 55194-91-7

  • Applications

    Isohexyl Palmitate (CAS 59219-72-6) is the palmitic acid ester of isohexanol, primarily used as an emollient in cosmetics and personal care products, providing a soft, smooth feel in creams, lotions, and hair-care formulations. In perfumery and fragrance applications, it commonly serves as a solvent and carrier for fragrance oils, helping dissolve and distribute aroma ingredients in beauty and household fragrance products. In household and cleaning formulations, it can function as an emollient and stabilizing solvent for active ingredients and cleaning agents. In the polymers and coatings sector, it is used as a plasticizer and processing aid to improve flexibility, lubrication, and gloss in plastics and coatings. It may also be employed as a solvent or processing aid in industrial formulation workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.06
    methanol 144.14
    isopropanol 245.41
    water 0.05
    ethyl acetate 1334.42
    n-propanol 247.37
    acetone 759.46
    n-butanol 342.76
    acetonitrile 266.6
    DMF 876.88
    toluene 513.55
    isobutanol 291.49
    1,4-dioxane 998.62
    methyl acetate 686.72
    THF 2272.59
    2-butanone 1002.75
    n-pentanol 236.33
    sec-butanol 354.15
    n-hexane 165.67
    ethylene glycol 8.81
    NMP 1956.83
    cyclohexane 784.03
    DMSO 906.53
    n-butyl acetate 1474.47
    n-octanol 285.94
    chloroform 2722.76
    n-propyl acetate 1456.79
    acetic acid 296.18
    dichloromethane 2858.87
    cyclohexanone 3078.48
    propylene glycol 35.22
    isopropyl acetate 1297.74
    DMAc 1679.88
    2-ethoxyethanol 434.49
    isopentanol 482.83
    n-heptane 145.33
    ethyl formate 453.01
    1,2-dichloroethane 2162.73
    n-hexanol 263.53
    2-methoxyethanol 437.87
    isobutyl acetate 983.91
    tetrachloromethane 719.95
    n-pentyl acetate 1710.68
    transcutol 2462.48
    n-heptanol 256.88
    ethylbenzene 355.28
    MIBK 1170.6
    2-propoxyethanol 520.25
    tert-butanol 485.99
    MTBE 1063.89
    2-butoxyethanol 613.3
    propionic acid 330.16
    o-xylene 483.91
    formic acid 43.94
    diethyl ether 844.97
    m-xylene 406.78
    p-xylene 568.18
    chlorobenzene 948.4
    dimethyl carbonate 222.63
    n-octane 65.27
    formamide 105.31
    cyclopentanone 2417.78
    2-pentanone 1257.15
    anisole 713.34
    cyclopentyl methyl ether 1597.18
    gamma-butyrolactone 2060.14
    1-methoxy-2-propanol 536.01
    pyridine 1160.8
    3-pentanone 952.09
    furfural 1341.96
    n-dodecane 32.81
    diethylene glycol 164.1
    diisopropyl ether 479.21
    tert-amyl alcohol 596.67
    acetylacetone 1431.91
    n-hexadecane 42.67
    acetophenone 873.0
    methyl propionate 797.11
    isopentyl acetate 1536.85
    trichloroethylene 3379.33
    n-nonanol 290.57
    cyclohexanol 845.77
    benzyl alcohol 355.0
    2-ethylhexanol 367.28
    isooctanol 313.16
    dipropyl ether 844.3
    1,2-dichlorobenzene 1168.59
    ethyl lactate 353.34
    propylene carbonate 1276.19
    n-methylformamide 293.9
    2-pentanol 356.24
    n-pentane 109.42
    1-propoxy-2-propanol 661.39
    1-methoxy-2-propyl acetate 1212.86
    2-(2-methoxypropoxy) propanol 550.7
    mesitylene 337.59
    ε-caprolactone 2449.41
    p-cymene 301.35
    epichlorohydrin 2305.34
    1,1,1-trichloroethane 2622.03
    2-aminoethanol 49.98
    morpholine-4-carbaldehyde 1433.8
    sulfolane 2898.36
    2,2,4-trimethylpentane 118.61
    2-methyltetrahydrofuran 2112.34
    n-hexyl acetate 1527.95
    isooctane 70.13
    2-(2-butoxyethoxy)ethanol 775.2
    sec-butyl acetate 1238.52
    tert-butyl acetate 1612.14
    decalin 231.54
    glycerin 56.77
    diglyme 1948.66
    acrylic acid 195.54
    isopropyl myristate 475.31
    n-butyric acid 964.26
    acetyl acetate 805.34
    di(2-ethylhexyl) phthalate 319.13
    ethyl propionate 1216.99
    nitromethane 786.43
    1,2-diethoxyethane 1377.01
    benzonitrile 602.61
    trioctyl phosphate 242.94
    1-bromopropane 1296.51
    gamma-valerolactone 2877.35
    n-decanol 180.87
    triethyl phosphate 530.98
    4-methyl-2-pentanol 297.26
    propionitrile 377.97
    vinylene carbonate 919.89
    1,1,2-trichlorotrifluoroethane 1208.82
    DMS 705.73
    cumene 265.33
    2-octanol 277.88
    2-hexanone 1131.65
    octyl acetate 561.42
    limonene 630.96
    1,2-dimethoxyethane 1434.36
    ethyl orthosilicate 548.93
    tributyl phosphate 362.97
    diacetone alcohol 1044.31
    N,N-dimethylaniline 495.15
    acrylonitrile 341.02
    aniline 453.94
    1,3-propanediol 146.19
    bromobenzene 1182.52
    dibromomethane 1924.82
    1,1,2,2-tetrachloroethane 3287.89
    2-methyl-cyclohexyl acetate 1004.61
    tetrabutyl urea 526.6
    diisobutyl methanol 295.51
    2-phenylethanol 362.96
    styrene 435.71
    dioctyl adipate 710.36
    dimethyl sulfate 507.73
    ethyl butyrate 1360.8
    methyl lactate 245.91
    butyl lactate 789.27
    diethyl carbonate 649.19
    propanediol butyl ether 426.06
    triethyl orthoformate 991.29
    p-tert-butyltoluene 280.38
    methyl 4-tert-butylbenzoate 891.41
    morpholine 1412.19
    tert-butylamine 366.92
    n-dodecanol 126.87
    dimethoxymethane 621.12
    ethylene carbonate 958.13
    cyrene 522.59
    2-ethoxyethyl acetate 1563.18
    2-ethylhexyl acetate 1333.42
    1,2,4-trichlorobenzene 1331.38
    4-methylpyridine 1316.24
    dibutyl ether 1040.51
    2,6-dimethyl-4-heptanol 295.51
    DEF 1590.08
    dimethyl isosorbide 1308.43
    tetrachloroethylene 2043.79
    eugenol 594.82
    triacetin 1278.52
    span 80 564.08
    1,4-butanediol 58.67
    1,1-dichloroethane 1953.19
    2-methyl-1-pentanol 346.01
    methyl formate 205.4
    2-methyl-1-butanol 411.47
    n-decane 83.59
    butyronitrile 558.44
    3,7-dimethyl-1-octanol 374.41
    1-chlorooctane 445.48
    1-chlorotetradecane 125.01
    n-nonane 83.35
    undecane 48.27
    tert-butylcyclohexane 162.12
    cyclooctane 180.82
    cyclopentanol 670.07
    tetrahydropyran 1991.71
    tert-amyl methyl ether 993.38
    2,5,8-trioxanonane 986.58
    1-hexene 380.91
    2-isopropoxyethanol 442.83
    2,2,2-trifluoroethanol 145.24
    methyl butyrate 1650.34

    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