1-Methylbutyl hexadecanoate

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  • Identifiers

    CAS number
    55195-08-9

    Molecular formula
    C21H42O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OC(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 74.5%
    Waxy 71.77%
    Oily 68.41%
    Fruity 37.89%
    Creamy 37.7%
    Dairy 31.28%
    Sweet 28.3%
    Odorless 27.04%
    Milky 26.91%
    Cognac 25.65%

     

    Flavor
    Waxy 56.15%
    Oily 51.52%
    Fatty 50.39%
    Mild 41.51%
    Fat 36.28%
    Soapy 35.46%
    Coconut 32.94%
    Bland 30.81%
    Faint 29.19%
    Creamy 29.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.16 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 160.97 ˚C est.

  • Synonyms

    • 1-Methylbutyl hexadecanoate
    • pentan-2-yl hexadecanoate
    • s-amyl palmitate
    • Hexadecanoic acid, 1-methylbutyl ester
    • 1-Methylbutyl palmitate #
    • 55195-08-9
    • SCHEMBL9768581
    • DZMWBZBWVLFIGD-UHFFFAOYSA-N
    • 55195-08-9

  • Applications

    1-Methylbutyl hexadecanoate (CAS 55195-08-9), also known as isoamyl palmitate, is an ester of palmitic acid with the 1-methylbutyl alcohol. In practice, it is primarily used as a fragrance ingredient in perfumery and other fragrance applications, and as a fragrance fixative. In cosmetics and personal care, it functions as an emollient/conditioning oil, improving slip and texture in products such as creams, lotions, and lip products. In the plastics and coatings industries, it can act as a plasticizer or softening additive for polymers and coatings, helping to enhance flexibility and processability. It is also used as a solvent carrier for fragrance oils or as a medium for dissolving aromatic compounds in household formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 570.27
    methanol 458.31
    isopropanol 864.59
    water 0.11
    ethyl acetate 3158.96
    n-propanol 839.26
    acetone 2270.89
    n-butanol 1050.55
    acetonitrile 876.16
    DMF 2280.07
    toluene 1201.41
    isobutanol 930.57
    1,4-dioxane 2549.39
    methyl acetate 1724.27
    THF 5125.52
    2-butanone 2612.77
    n-pentanol 651.84
    sec-butanol 1092.62
    n-hexane 577.77
    ethylene glycol 25.48
    NMP 4252.0
    cyclohexane 2421.12
    DMSO 2023.58
    n-butyl acetate 3040.08
    n-octanol 696.22
    chloroform 5517.29
    n-propyl acetate 3142.84
    acetic acid 739.17
    dichloromethane 5916.36
    cyclohexanone 7230.4
    propylene glycol 95.63
    isopropyl acetate 2793.39
    DMAc 3311.62
    2-ethoxyethanol 946.93
    isopentanol 1281.21
    n-heptane 461.36
    ethyl formate 1211.96
    1,2-dichloroethane 4509.45
    n-hexanol 642.09
    2-methoxyethanol 1102.74
    isobutyl acetate 1962.59
    tetrachloromethane 1520.91
    n-pentyl acetate 3552.51
    transcutol 3915.75
    n-heptanol 581.75
    ethylbenzene 796.32
    MIBK 2462.83
    2-propoxyethanol 1084.08
    tert-butanol 1352.21
    MTBE 2612.62
    2-butoxyethanol 1202.35
    propionic acid 891.86
    o-xylene 987.45
    formic acid 96.4
    diethyl ether 2336.88
    m-xylene 854.57
    p-xylene 1298.63
    chlorobenzene 2101.06
    dimethyl carbonate 488.86
    n-octane 194.15
    formamide 235.29
    cyclopentanone 5550.86
    2-pentanone 2975.26
    anisole 1367.12
    cyclopentyl methyl ether 3826.26
    gamma-butyrolactone 4801.62
    1-methoxy-2-propanol 1267.55
    pyridine 2973.19
    3-pentanone 2356.75
    furfural 2668.83
    n-dodecane 94.1
    diethylene glycol 328.27
    diisopropyl ether 1133.53
    tert-amyl alcohol 1505.29
    acetylacetone 2898.33
    n-hexadecane 121.43
    acetophenone 1609.12
    methyl propionate 1944.55
    isopentyl acetate 2874.27
    trichloroethylene 6282.15
    n-nonanol 679.15
    cyclohexanol 2351.28
    benzyl alcohol 735.98
    2-ethylhexanol 858.32
    isooctanol 663.84
    dipropyl ether 2001.49
    1,2-dichlorobenzene 2245.37
    ethyl lactate 698.14
    propylene carbonate 2786.23
    n-methylformamide 820.05
    2-pentanol 1041.31
    n-pentane 392.38
    1-propoxy-2-propanol 1332.3
    1-methoxy-2-propyl acetate 2107.76
    2-(2-methoxypropoxy) propanol 873.38
    mesitylene 682.68
    ε-caprolactone 5396.3
    p-cymene 628.0
    epichlorohydrin 4565.76
    1,1,1-trichloroethane 5143.07
    2-aminoethanol 143.15
    morpholine-4-carbaldehyde 3079.46
    sulfolane 5605.54
    2,2,4-trimethylpentane 275.79
    2-methyltetrahydrofuran 5172.79
    n-hexyl acetate 3261.47
    isooctane 163.72
    2-(2-butoxyethoxy)ethanol 1275.21
    sec-butyl acetate 2422.49
    tert-butyl acetate 3168.93
    decalin 590.7
    glycerin 133.45
    diglyme 3158.39
    acrylic acid 481.11
    isopropyl myristate 995.84
    n-butyric acid 2536.32
    acetyl acetate 1664.87
    di(2-ethylhexyl) phthalate 599.78
    ethyl propionate 2624.04
    nitromethane 1888.49
    1,2-diethoxyethane 2702.89
    benzonitrile 1394.34
    trioctyl phosphate 508.99
    1-bromopropane 3150.29
    gamma-valerolactone 6065.0
    n-decanol 420.91
    triethyl phosphate 979.33
    4-methyl-2-pentanol 703.37
    propionitrile 1142.53
    vinylene carbonate 2009.97
    1,1,2-trichlorotrifluoroethane 2125.88
    DMS 1459.32
    cumene 566.93
    2-octanol 665.91
    2-hexanone 2404.68
    octyl acetate 1169.99
    limonene 1411.24
    1,2-dimethoxyethane 2914.16
    ethyl orthosilicate 1000.04
    tributyl phosphate 725.87
    diacetone alcohol 1981.59
    N,N-dimethylaniline 984.8
    acrylonitrile 1008.39
    aniline 1071.2
    1,3-propanediol 401.56
    bromobenzene 2538.84
    dibromomethane 4305.16
    1,1,2,2-tetrachloroethane 5913.19
    2-methyl-cyclohexyl acetate 1845.28
    tetrabutyl urea 1077.65
    diisobutyl methanol 632.58
    2-phenylethanol 701.09
    styrene 1019.65
    dioctyl adipate 1358.75
    dimethyl sulfate 942.05
    ethyl butyrate 2857.48
    methyl lactate 536.34
    butyl lactate 1543.77
    diethyl carbonate 1328.15
    propanediol butyl ether 827.53
    triethyl orthoformate 1893.62
    p-tert-butyltoluene 563.59
    methyl 4-tert-butylbenzoate 1531.93
    morpholine 3599.44
    tert-butylamine 1028.65
    n-dodecanol 299.95
    dimethoxymethane 1434.16
    ethylene carbonate 2216.03
    cyrene 894.18
    2-ethoxyethyl acetate 2708.0
    2-ethylhexyl acetate 2527.46
    1,2,4-trichlorobenzene 2389.82
    4-methylpyridine 3167.39
    dibutyl ether 2491.06
    2,6-dimethyl-4-heptanol 632.58
    DEF 3689.01
    dimethyl isosorbide 1979.35
    tetrachloroethylene 3925.38
    eugenol 1020.56
    triacetin 2243.14
    span 80 1039.47
    1,4-butanediol 156.04
    1,1-dichloroethane 4209.82
    2-methyl-1-pentanol 826.72
    methyl formate 551.03
    2-methyl-1-butanol 1141.7
    n-decane 239.18
    butyronitrile 1651.25
    3,7-dimethyl-1-octanol 815.83
    1-chlorooctane 1095.82
    1-chlorotetradecane 316.94
    n-nonane 246.63
    undecane 136.87
    tert-butylcyclohexane 408.55
    cyclooctane 537.19
    cyclopentanol 2039.49
    tetrahydropyran 5418.38
    tert-amyl methyl ether 2172.27
    2,5,8-trioxanonane 1541.36
    1-hexene 1173.63
    2-isopropoxyethanol 905.96
    2,2,2-trifluoroethanol 321.58
    methyl butyrate 3681.47

    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