2-Methylbutyl palmitate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94022-82-9

    Molecular formula
    C21H42O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 72.63%
    Fatty 71.6%
    Oily 63.23%
    Creamy 33.31%
    Odorless 30.94%
    Fruity 28.75%
    Sweet 25.9%
    Dairy 25.76%
    Milky 23.81%
    Soapy 22.54%

     

    Flavor
    Waxy 61.47%
    Oily 51.63%
    Fatty 47.39%
    Mild 42.14%
    Soapy 36.91%
    Fat 33.54%
    Coconut 32.37%
    Creamy 29.72%
    Bland 28.39%
    Fruity 28.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.34 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    371°C

    Flash point

    • 163.6 ˚C est.

  • Synonyms

    • 2-Methylbutyl palmitate
    • 2-methylbutyl hexadecanoate
    • 94022-82-9
    • EINECS 301-577-4
    • Hexadecanoic acid, 2-methylbutyl ester
    • 2-methylbutyl hexa-decanoate
    • SCHEMBL15985180
    • DTXSID60916653
    • JMWUDENRAYGYDI-UHFFFAOYSA-N
    • NS00064504
    • 94022-82-9

  • Applications

    2-Methylbutyl palmitate (CAS 94022-82-9) is an ester of palmitic acid and 2-methylbutanol. In practical applications, it is commonly used as a fragrance ingredient in perfumery and consumer products, contributing long-chain, fruity-woody notes; it is also employed as an emollient and skin-conditioning agent in cosmetics and personal care formulations; in polymer and coating systems, it can function as a processing aid or plasticizer to improve texture and flexibility; in household products such as cleaners and air fresheners, it provides fragrance and can act as a conditioning component; in industrial manufacturing, it may serve as an intermediate for the synthesis of other esters or as a low-volatility component in formulated systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.62
    methanol 177.99
    isopropanol 411.11
    water 0.05
    ethyl acetate 2153.58
    n-propanol 379.79
    acetone 1223.86
    n-butanol 525.16
    acetonitrile 479.47
    DMF 1110.39
    toluene 767.38
    isobutanol 450.87
    1,4-dioxane 1529.77
    methyl acetate 1077.31
    THF 3123.44
    2-butanone 1595.41
    n-pentanol 360.23
    sec-butanol 566.2
    n-hexane 252.81
    ethylene glycol 9.46
    NMP 2131.29
    cyclohexane 1196.02
    DMSO 1030.76
    n-butyl acetate 2246.8
    n-octanol 465.24
    chloroform 3735.44
    n-propyl acetate 2370.77
    acetic acid 368.82
    dichloromethane 3932.02
    cyclohexanone 4465.75
    propylene glycol 40.64
    isopropyl acetate 1974.54
    DMAc 1916.17
    2-ethoxyethanol 597.16
    isopentanol 737.58
    n-heptane 239.84
    ethyl formate 713.96
    1,2-dichloroethane 2912.63
    n-hexanol 381.46
    2-methoxyethanol 564.88
    isobutyl acetate 1464.39
    tetrachloromethane 936.88
    n-pentyl acetate 2529.64
    transcutol 3012.61
    n-heptanol 394.11
    ethylbenzene 552.86
    MIBK 1671.69
    2-propoxyethanol 656.16
    tert-butanol 769.93
    MTBE 1623.63
    2-butoxyethanol 854.02
    propionic acid 451.67
    o-xylene 681.26
    formic acid 40.21
    diethyl ether 1336.25
    m-xylene 581.93
    p-xylene 922.72
    chlorobenzene 1362.11
    dimethyl carbonate 281.36
    n-octane 116.08
    formamide 111.97
    cyclopentanone 3319.75
    2-pentanone 1940.5
    anisole 989.25
    cyclopentyl methyl ether 2154.8
    gamma-butyrolactone 2859.03
    1-methoxy-2-propanol 715.62
    pyridine 1846.53
    3-pentanone 1445.42
    furfural 1689.96
    n-dodecane 56.53
    diethylene glycol 180.88
    diisopropyl ether 713.72
    tert-amyl alcohol 866.8
    acetylacetone 1957.88
    n-hexadecane 72.81
    acetophenone 1201.37
    methyl propionate 1161.61
    isopentyl acetate 2214.41
    trichloroethylene 4490.42
    n-nonanol 459.49
    cyclohexanol 1246.91
    benzyl alcohol 482.33
    2-ethylhexanol 533.96
    isooctanol 474.23
    dipropyl ether 1266.69
    1,2-dichlorobenzene 1546.95
    ethyl lactate 480.67
    propylene carbonate 1679.45
    n-methylformamide 378.97
    2-pentanol 566.45
    n-pentane 165.94
    1-propoxy-2-propanol 874.06
    1-methoxy-2-propyl acetate 1563.36
    2-(2-methoxypropoxy) propanol 670.98
    mesitylene 469.48
    ε-caprolactone 3418.01
    p-cymene 447.65
    epichlorohydrin 3022.35
    1,1,1-trichloroethane 3597.92
    2-aminoethanol 56.16
    morpholine-4-carbaldehyde 1763.03
    sulfolane 3171.82
    2,2,4-trimethylpentane 158.05
    2-methyltetrahydrofuran 3033.27
    n-hexyl acetate 2255.34
    isooctane 98.49
    2-(2-butoxyethoxy)ethanol 984.55
    sec-butyl acetate 1878.5
    tert-butyl acetate 2321.91
    decalin 340.54
    glycerin 61.06
    diglyme 2536.15
    acrylic acid 243.7
    isopropyl myristate 689.15
    n-butyric acid 1459.71
    acetyl acetate 1171.81
    di(2-ethylhexyl) phthalate 418.16
    ethyl propionate 1872.11
    nitromethane 1081.4
    1,2-diethoxyethane 2054.09
    benzonitrile 929.91
    trioctyl phosphate 340.71
    1-bromopropane 1964.23
    gamma-valerolactone 3841.42
    n-decanol 279.9
    triethyl phosphate 698.89
    4-methyl-2-pentanol 437.34
    propionitrile 663.74
    vinylene carbonate 1236.4
    1,1,2-trichlorotrifluoroethane 1337.7
    DMS 939.42
    cumene 391.82
    2-octanol 462.79
    2-hexanone 1718.22
    octyl acetate 805.0
    limonene 900.25
    1,2-dimethoxyethane 2102.04
    ethyl orthosilicate 716.19
    tributyl phosphate 480.67
    diacetone alcohol 1388.39
    N,N-dimethylaniline 675.8
    acrylonitrile 567.72
    aniline 627.48
    1,3-propanediol 186.86
    bromobenzene 1702.45
    dibromomethane 2623.6
    1,1,2,2-tetrachloroethane 4188.53
    2-methyl-cyclohexyl acetate 1326.3
    tetrabutyl urea 700.28
    diisobutyl methanol 434.62
    2-phenylethanol 491.11
    styrene 692.51
    dioctyl adipate 944.75
    dimethyl sulfate 559.98
    ethyl butyrate 2107.11
    methyl lactate 297.16
    butyl lactate 1097.72
    diethyl carbonate 962.95
    propanediol butyl ether 555.46
    triethyl orthoformate 1376.71
    p-tert-butyltoluene 400.76
    methyl 4-tert-butylbenzoate 1147.12
    morpholine 2048.58
    tert-butylamine 554.02
    n-dodecanol 194.67
    dimethoxymethane 796.33
    ethylene carbonate 1354.35
    cyrene 619.32
    2-ethoxyethyl acetate 2049.2
    2-ethylhexyl acetate 1879.12
    1,2,4-trichlorobenzene 1658.52
    4-methylpyridine 2087.2
    dibutyl ether 1675.46
    2,6-dimethyl-4-heptanol 434.62
    DEF 2265.49
    dimethyl isosorbide 1527.02
    tetrachloroethylene 2561.76
    eugenol 762.62
    triacetin 1590.98
    span 80 721.51
    1,4-butanediol 77.2
    1,1-dichloroethane 2875.71
    2-methyl-1-pentanol 506.92
    methyl formate 270.63
    2-methyl-1-butanol 611.47
    n-decane 146.29
    butyronitrile 1014.16
    3,7-dimethyl-1-octanol 562.58
    1-chlorooctane 703.77
    1-chlorotetradecane 194.67
    n-nonane 148.58
    undecane 83.32
    tert-butylcyclohexane 236.54
    cyclooctane 285.69
    cyclopentanol 988.17
    tetrahydropyran 3128.23
    tert-amyl methyl ether 1336.86
    2,5,8-trioxanonane 1229.81
    1-hexene 632.67
    2-isopropoxyethanol 611.83
    2,2,2-trifluoroethanol 163.93
    methyl butyrate 2625.66

    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