Methyl 2-butyl-2-ethylhexanoate

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  • Identifiers

    CAS number
    106887-88-1

    Molecular formula
    C13H26O2

    SMILES
    CCCCC(CC)(CCCC)C(=O)OC

  • Odor profile

    Fragrance
    Fruity 73.14%
    Herbal 58.72%
    Woody 48.56%
    Oily 40.5%
    Fatty 34.84%
    Fresh 33.69%
    Floral 32.95%
    Waxy 29.58%
    Apple 27.7%
    Mint 25.51%

     

    Flavor
    Fruity 56.09%
    Green 49.95%
    Waxy 46.4%
    Oily 37.75%
    Sweet 36.96%
    Floral 36.02%
    Herbal 35.55%
    Wine 26.83%
    Soapy 26.78%
    Mild 25.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.35 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 105.67 ˚C est.

  • Synonyms

    • 106887-88-1
    • METHYL 2-BUTYL-2-ETHYLHEXANOATE
    • DTXSID10698497
    • HHQZPWYFLOPSEJ-UHFFFAOYSA-N

  • Applications

    Methyl 2-butyl-2-ethylhexanoate (CAS 106887-88-1) is primarily used as a fragrance ingredient and fixative in perfumery, and as a solvent and fragrance carrier in cosmetics and personal care products. It also serves as a fragrance component in household cleaners and detergents, and as a processing solvent in coatings, inks, and adhesives. In industrial manufacturing, it may function as an intermediate for the synthesis of other esters and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10313.79
    methanol 8953.53
    isopropanol 13801.51
    water 1.19
    ethyl acetate 12637.55
    n-propanol 11944.53
    acetone 15665.47
    n-butanol 10159.24
    acetonitrile 13204.74
    DMF 13598.03
    toluene 8167.75
    isobutanol 11511.59
    1,4-dioxane 14604.52
    methyl acetate 10555.87
    THF 15843.21
    2-butanone 15085.63
    n-pentanol 6204.77
    sec-butanol 12822.06
    n-hexane 2244.41
    ethylene glycol 695.22
    NMP 10243.36
    cyclohexane 6767.14
    DMSO 6198.58
    n-butyl acetate 10387.95
    n-octanol 3833.92
    chloroform 34149.56
    n-propyl acetate 7916.79
    acetic acid 5694.2
    dichloromethane 26682.1
    cyclohexanone 25090.44
    propylene glycol 1464.69
    isopropyl acetate 8278.09
    DMAc 8363.33
    2-ethoxyethanol 5107.45
    isopentanol 8899.97
    n-heptane 1437.49
    ethyl formate 8311.51
    1,2-dichloroethane 20321.25
    n-hexanol 6961.78
    2-methoxyethanol 8081.54
    isobutyl acetate 4494.75
    tetrachloromethane 7566.69
    n-pentyl acetate 7634.1
    transcutol 8730.53
    n-heptanol 3718.49
    ethylbenzene 3901.5
    MIBK 6126.37
    2-propoxyethanol 6119.74
    tert-butanol 14102.33
    MTBE 14627.38
    2-butoxyethanol 4468.59
    propionic acid 6964.21
    o-xylene 4261.14
    formic acid 1132.52
    diethyl ether 13836.14
    m-xylene 4207.51
    p-xylene 5274.47
    chlorobenzene 11541.74
    dimethyl carbonate 2583.51
    n-octane 782.12
    formamide 2266.5
    cyclopentanone 18420.83
    2-pentanone 12046.64
    anisole 5644.04
    cyclopentyl methyl ether 10183.07
    gamma-butyrolactone 16543.77
    1-methoxy-2-propanol 6356.08
    pyridine 19822.87
    3-pentanone 8595.01
    furfural 10925.77
    n-dodecane 433.64
    diethylene glycol 2442.61
    diisopropyl ether 4128.47
    tert-amyl alcohol 11660.68
    acetylacetone 8118.1
    n-hexadecane 529.6
    acetophenone 4955.11
    methyl propionate 8016.15
    isopentyl acetate 8457.46
    trichloroethylene 31561.63
    n-nonanol 3131.19
    cyclohexanol 13582.6
    benzyl alcohol 4096.41
    2-ethylhexanol 4467.17
    isooctanol 3129.7
    dipropyl ether 4904.75
    1,2-dichlorobenzene 8657.31
    ethyl lactate 1967.88
    propylene carbonate 9514.59
    n-methylformamide 7913.41
    2-pentanol 8759.83
    n-pentane 2412.11
    1-propoxy-2-propanol 5278.43
    1-methoxy-2-propyl acetate 4904.46
    2-(2-methoxypropoxy) propanol 2171.33
    mesitylene 2829.4
    ε-caprolactone 16819.04
    p-cymene 2218.52
    epichlorohydrin 18014.13
    1,1,1-trichloroethane 22398.42
    2-aminoethanol 2506.33
    morpholine-4-carbaldehyde 8853.9
    sulfolane 12455.25
    2,2,4-trimethylpentane 1133.25
    2-methyltetrahydrofuran 16756.36
    n-hexyl acetate 7901.3
    isooctane 791.32
    2-(2-butoxyethoxy)ethanol 3368.0
    sec-butyl acetate 5158.34
    tert-butyl acetate 6870.3
    decalin 1600.98
    glycerin 1335.12
    diglyme 6998.92
    acrylic acid 4366.45
    isopropyl myristate 2423.72
    n-butyric acid 11867.54
    acetyl acetate 5543.35
    di(2-ethylhexyl) phthalate 1548.26
    ethyl propionate 6241.74
    nitromethane 11052.22
    1,2-diethoxyethane 6227.87
    benzonitrile 8674.72
    trioctyl phosphate 1429.87
    1-bromopropane 15175.75
    gamma-valerolactone 17525.83
    n-decanol 1956.38
    triethyl phosphate 1656.88
    4-methyl-2-pentanol 3736.15
    propionitrile 14475.06
    vinylene carbonate 8960.21
    1,1,2-trichlorotrifluoroethane 7549.78
    DMS 3552.31
    cumene 2296.84
    2-octanol 3394.48
    2-hexanone 7094.61
    octyl acetate 3105.55
    limonene 3848.09
    1,2-dimethoxyethane 10071.77
    ethyl orthosilicate 1679.21
    tributyl phosphate 1671.95
    diacetone alcohol 4894.05
    N,N-dimethylaniline 3223.28
    acrylonitrile 12726.52
    aniline 7423.42
    1,3-propanediol 4204.78
    bromobenzene 13215.43
    dibromomethane 19990.58
    1,1,2,2-tetrachloroethane 25594.02
    2-methyl-cyclohexyl acetate 3392.12
    tetrabutyl urea 2094.34
    diisobutyl methanol 2253.28
    2-phenylethanol 3875.93
    styrene 5183.42
    dioctyl adipate 2642.51
    dimethyl sulfate 2920.11
    ethyl butyrate 5644.67
    methyl lactate 2174.8
    butyl lactate 3525.48
    diethyl carbonate 3337.53
    propanediol butyl ether 3124.93
    triethyl orthoformate 3383.72
    p-tert-butyltoluene 2051.08
    methyl 4-tert-butylbenzoate 3509.28
    morpholine 18795.95
    tert-butylamine 9956.44
    n-dodecanol 1353.79
    dimethoxymethane 6896.2
    ethylene carbonate 9104.01
    cyrene 2200.81
    2-ethoxyethyl acetate 5631.83
    2-ethylhexyl acetate 6673.35
    1,2,4-trichlorobenzene 8936.72
    4-methylpyridine 18431.24
    dibutyl ether 4954.3
    2,6-dimethyl-4-heptanol 2253.28
    DEF 11589.03
    dimethyl isosorbide 3955.99
    tetrachloroethylene 17902.94
    eugenol 2826.71
    triacetin 3596.31
    span 80 2696.33
    1,4-butanediol 1855.47
    1,1-dichloroethane 24730.36
    2-methyl-1-pentanol 5578.64
    methyl formate 5529.18
    2-methyl-1-butanol 9050.57
    n-decane 925.14
    butyronitrile 16226.23
    3,7-dimethyl-1-octanol 3209.66
    1-chlorooctane 3600.46
    1-chlorotetradecane 1084.33
    n-nonane 1034.23
    undecane 591.79
    tert-butylcyclohexane 1325.8
    cyclooctane 1569.25
    cyclopentanol 12431.42
    tetrahydropyran 23589.95
    tert-amyl methyl ether 8439.33
    2,5,8-trioxanonane 3343.29
    1-hexene 6424.17
    2-isopropoxyethanol 3839.6
    2,2,2-trifluoroethanol 1766.08
    methyl butyrate 9818.84

    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