Butyl palmitate

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  • Identifiers

    CAS number
    111-06-8

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCCC

  • Odor profile

    Fatty 74.47%
    Waxy 73.58%
    Oily 69.02%
    Fruity 39.92%
    Creamy 38.16%
    Sweet 36.69%
    Dairy 29.42%
    Odorless 28.42%
    Winey 27.47%
    Cognac 26.24%

    Scent© AI

  • Properties

    XLogP3-AA
    8.7

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point est.
    160.48 ˚C

  • Synonyms

    • BUTYL PALMITATE
    • 111-06-8
    • Butyl hexadecanoate
    • Hexadecanoic acid, butyl ester
    • n-Butyl palmitate
    • n-Butyl hexadecanoate
    • Palmitic acid, butyl ester
    • PALMITIC ACID N-BUTYL ESTER
    • PALMITICACIDN-BUTYLESTER
    • Palmitic Acid Butyl Ester
    • DUQ37A5I26
    • NSC 4815
    • NSC-4815
    • EINECS 203-829-8
    • AI3-07959
    • DTXSID3059395
    • BUTYL PALMITATE [USP-RS]
    • CHEBI:132549
    • BUTYL PALMITATE (USP-RS)
    • MFCD00053738
    • UNII-DUQ37A5I26
    • nButyl palmitate
    • Butyl ester of hexadecanoic acid
    • nButyl hexadecanoate
    • hexadecanoic acid butyl ester
    • SCHEMBL284459
    • DTXCID9033189
    • NSC4815
    • Palmitic acid, butyl ester (8CI)
    • STL268849
    • AKOS016358294
    • HY-W127338
    • AS-19620
    • CS-0185578
    • NS00019868
    • P0649
    • D91992
    • Q24735748
    • 203-829-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.19
    methanol 211.83
    isopropanol 418.87
    water 0.05
    ethyl acetate 1932.54
    n-propanol 400.73
    acetone 1183.84
    n-butanol 530.1
    acetonitrile 485.25
    DMF 1333.45
    toluene 691.35
    isobutanol 468.94
    1,4-dioxane 1448.93
    methyl acetate 999.07
    THF 3097.8
    2-butanone 1518.92
    n-pentanol 359.8
    sec-butanol 561.12
    n-hexane 286.32
    ethylene glycol 12.77
    NMP 2526.89
    cyclohexane 1401.28
    DMSO 1362.13
    n-butyl acetate 2051.77
    n-octanol 445.09
    chloroform 3536.31
    n-propyl acetate 2194.32
    acetic acid 401.86
    dichloromethane 3833.06
    cyclohexanone 4476.11
    propylene glycol 49.33
    isopropyl acetate 1785.33
    DMAc 1973.45
    2-ethoxyethanol 582.66
    isopentanol 701.58
    n-heptane 280.66
    ethyl formate 709.08
    1,2-dichloroethane 2929.42
    n-hexanol 364.68
    2-methoxyethanol 616.85
    isobutyl acetate 1329.48
    tetrachloromethane 934.27
    n-pentyl acetate 2425.51
    transcutol 2871.11
    n-heptanol 364.69
    ethylbenzene 510.37
    MIBK 1564.5
    2-propoxyethanol 651.64
    tert-butanol 755.1
    MTBE 1439.97
    2-butoxyethanol 818.7
    propionic acid 492.56
    o-xylene 614.84
    formic acid 51.01
    diethyl ether 1300.26
    m-xylene 519.04
    p-xylene 846.4
    chlorobenzene 1294.6
    dimethyl carbonate 296.91
    n-octane 122.57
    formamide 136.44
    cyclopentanone 3526.74
    2-pentanone 1829.33
    anisole 911.62
    cyclopentyl methyl ether 2240.93
    gamma-butyrolactone 2993.03
    1-methoxy-2-propanol 746.13
    pyridine 1899.6
    3-pentanone 1423.55
    furfural 1791.26
    n-dodecane 58.74
    diethylene glycol 192.17
    diisopropyl ether 669.74
    tert-amyl alcohol 848.44
    acetylacetone 1867.32
    n-hexadecane 76.28
    acetophenone 1132.76
    methyl propionate 1165.5
    isopentyl acetate 1896.91
    trichloroethylene 4311.34
    n-nonanol 440.36
    cyclohexanol 1328.32
    benzyl alcohol 476.45
    2-ethylhexanol 522.58
    isooctanol 428.89
    dipropyl ether 1332.69
    1,2-dichlorobenzene 1491.0
    ethyl lactate 481.99
    propylene carbonate 1719.45
    n-methylformamide 464.55
    2-pentanol 561.98
    n-pentane 184.5
    1-propoxy-2-propanol 863.3
    1-methoxy-2-propyl acetate 1390.99
    2-(2-methoxypropoxy) propanol 623.49
    mesitylene 438.4
    ε-caprolactone 3388.51
    p-cymene 422.19
    epichlorohydrin 2927.76
    1,1,1-trichloroethane 3262.28
    2-aminoethanol 70.94
    morpholine-4-carbaldehyde 1909.46
    sulfolane 3772.8
    2,2,4-trimethylpentane 149.8
    2-methyltetrahydrofuran 2929.83
    n-hexyl acetate 2153.55
    isooctane 93.94
    2-(2-butoxyethoxy)ethanol 930.29
    sec-butyl acetate 1667.48
    tert-butyl acetate 2079.78
    decalin 354.48
    glycerin 76.7
    diglyme 2300.78
    acrylic acid 279.33
    isopropyl myristate 658.37
    n-butyric acid 1457.67
    acetyl acetate 1053.23
    di(2-ethylhexyl) phthalate 395.99
    ethyl propionate 1800.97
    nitromethane 1104.17
    1,2-diethoxyethane 1896.42
    benzonitrile 903.58
    trioctyl phosphate 330.99
    1-bromopropane 1962.19
    gamma-valerolactone 3912.43
    n-decanol 270.28
    triethyl phosphate 697.33
    4-methyl-2-pentanol 414.34
    propionitrile 668.7
    vinylene carbonate 1269.91
    1,1,2-trichlorotrifluoroethane 1449.73
    DMS 912.48
    cumene 364.17
    2-octanol 424.13
    2-hexanone 1600.64
    octyl acetate 765.04
    limonene 905.82
    1,2-dimethoxyethane 2019.73
    ethyl orthosilicate 703.24
    tributyl phosphate 484.16
    diacetone alcohol 1297.36
    N,N-dimethylaniline 651.58
    acrylonitrile 605.96
    aniline 617.44
    1,3-propanediol 204.67
    bromobenzene 1601.07
    dibromomethane 2652.88
    1,1,2,2-tetrachloroethane 4102.58
    2-methyl-cyclohexyl acetate 1246.86
    tetrabutyl urea 723.7
    diisobutyl methanol 422.05
    2-phenylethanol 451.45
    styrene 649.49
    dioctyl adipate 924.18
    dimethyl sulfate 603.31
    ethyl butyrate 1988.18
    methyl lactate 320.12
    butyl lactate 1076.69
    diethyl carbonate 924.75
    propanediol butyl ether 556.83
    triethyl orthoformate 1312.47
    p-tert-butyltoluene 376.28
    methyl 4-tert-butylbenzoate 1076.56
    morpholine 2092.57
    tert-butylamine 570.11
    n-dodecanol 191.17
    dimethoxymethane 855.08
    ethylene carbonate 1341.46
    cyrene 631.96
    2-ethoxyethyl acetate 1879.63
    2-ethylhexyl acetate 1672.76
    1,2,4-trichlorobenzene 1600.58
    4-methylpyridine 1972.08
    dibutyl ether 1674.45
    2,6-dimethyl-4-heptanol 422.05
    DEF 2327.33
    dimethyl isosorbide 1448.09
    tetrachloroethylene 2628.55
    eugenol 721.48
    triacetin 1540.25
    span 80 709.48
    1,4-butanediol 84.98
    1,1-dichloroethane 2585.07
    2-methyl-1-pentanol 485.59
    methyl formate 307.39
    2-methyl-1-butanol 605.8
    n-decane 150.3
    butyronitrile 966.38
    3,7-dimethyl-1-octanol 510.4
    1-chlorooctane 708.78
    1-chlorotetradecane 200.24
    n-nonane 156.07
    undecane 86.24
    tert-butylcyclohexane 241.8
    cyclooctane 308.52
    cyclopentanol 1084.32
    tetrahydropyran 3091.0
    tert-amyl methyl ether 1260.43
    2,5,8-trioxanonane 1159.53
    1-hexene 633.68
    2-isopropoxyethanol 575.25
    2,2,2-trifluoroethanol 178.94
    methyl butyrate 2563.42

    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