Ethyl 5-methylhexanoate

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  • Identifiers

    CAS number
    10236-10-9

    Molecular formula
    C9H18O2

    SMILES
    CCOC(=O)CCCC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 97.45%
    Apple 69.54%
    Pineapple 59.47%
    Sweet 55.9%
    Banana 54.05%
    Green 53.32%
    Winey 51.82%
    Pear 41.57%
    Herbal 41.22%
    Ripe 38.82%

     

    Flavor
    Fruity 84.99%
    Pineapple 66.35%
    Apple 56.63%
    Sweet 56.14%
    Green 56.04%
    Tropical 50.23%
    Banana 49.73%
    Fruit 48.58%
    Pear 41.83%
    Ripe 38.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.34 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point

    • 61.09 ˚C est.

  • Synonyms

    • Ethyl 5-methylhexanoate
    • 10236-10-9
    • DTXSID20283873
    • RefChem:138831
    • DTXCID70235024
    • 861-438-3
    • VUOGVGBBHBPFGM-UHFFFAOYSA-N
    • Hexanoic acid, 5-methyl-, ethyl ester
    • 5-Methylhexanoic acid ethyl ester
    • NSC33948
    • ethanol-isoamylacetate
    • starbld0046620
    • Pregabalin Impurity 127
    • SCHEMBL127141
    • SCHEMBL127142
    • SCHEMBL11315243
    • CHEBI:179874
    • 5-methyl-hexanoic acid ethyl ester
    • MFCD02258638
    • NSC-33948
    • AKOS006279107
    • CS-0257454
    • EN300-6730519
    • 10236-10-9

  • Applications

    Ethyl 5-methylhexanoate (CAS 10236-10-9) is a fruity-smelling ester that is commonly used as a fragrance ingredient in perfumery and as a flavor component in flavor formulations. It is frequently applied in cosmetics and personal care to add fragrance, and it may also appear in household products such as cleaners and laundry products to impart a scent. In industrial manufacturing, it can serve as a solvent or as an intermediate in the synthesis of other chemicals and in coating/ink systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5618.26
    methanol 5742.07
    isopropanol 4374.59
    water 1.9
    ethyl acetate 4050.77
    n-propanol 3658.2
    acetone 6328.27
    n-butanol 3519.76
    acetonitrile 3334.44
    DMF 3731.99
    toluene 934.96
    isobutanol 2900.29
    1,4-dioxane 4506.38
    methyl acetate 2554.54
    THF 6588.76
    2-butanone 3325.75
    n-pentanol 2043.92
    sec-butanol 3136.39
    n-hexane 693.02
    ethylene glycol 614.84
    NMP 3674.61
    cyclohexane 927.23
    DMSO 3679.99
    n-butyl acetate 2848.03
    n-octanol 956.85
    chloroform 6442.07
    n-propyl acetate 1748.78
    acetic acid 5163.5
    dichloromethane 5292.1
    cyclohexanone 5243.02
    propylene glycol 1077.52
    isopropyl acetate 2423.41
    DMAc 2430.78
    2-ethoxyethanol 1905.59
    isopentanol 3012.4
    n-heptane 271.02
    ethyl formate 1951.39
    1,2-dichloroethane 3441.75
    n-hexanol 2419.35
    2-methoxyethanol 3557.42
    isobutyl acetate 1074.62
    tetrachloromethane 1033.04
    n-pentyl acetate 1445.13
    transcutol 6434.33
    n-heptanol 795.58
    ethylbenzene 505.82
    MIBK 1709.75
    2-propoxyethanol 2873.47
    tert-butanol 4718.17
    MTBE 3608.64
    2-butoxyethanol 1316.98
    propionic acid 2761.11
    o-xylene 600.47
    formic acid 1096.62
    diethyl ether 3622.68
    m-xylene 685.15
    p-xylene 742.52
    chlorobenzene 1650.11
    dimethyl carbonate 558.94
    n-octane 100.6
    formamide 1218.37
    cyclopentanone 4611.79
    2-pentanone 3235.18
    anisole 1062.11
    cyclopentyl methyl ether 3057.22
    gamma-butyrolactone 4731.52
    1-methoxy-2-propanol 2741.47
    pyridine 3039.46
    3-pentanone 1816.35
    furfural 2951.34
    n-dodecane 78.2
    diethylene glycol 1619.91
    diisopropyl ether 997.75
    tert-amyl alcohol 3380.06
    acetylacetone 2973.3
    n-hexadecane 90.44
    acetophenone 961.07
    methyl propionate 2007.92
    isopentyl acetate 2255.19
    trichloroethylene 6049.69
    n-nonanol 786.91
    cyclohexanol 3400.6
    benzyl alcohol 897.11
    2-ethylhexanol 1194.3
    isooctanol 627.74
    dipropyl ether 1406.66
    1,2-dichlorobenzene 1304.31
    ethyl lactate 552.63
    propylene carbonate 2412.9
    n-methylformamide 1911.11
    2-pentanol 2465.16
    n-pentane 505.93
    1-propoxy-2-propanol 2173.5
    1-methoxy-2-propyl acetate 1887.7
    2-(2-methoxypropoxy) propanol 1113.71
    mesitylene 463.82
    ε-caprolactone 4120.39
    p-cymene 380.95
    epichlorohydrin 4642.62
    1,1,1-trichloroethane 3779.6
    2-aminoethanol 1441.59
    morpholine-4-carbaldehyde 3102.84
    sulfolane 4375.02
    2,2,4-trimethylpentane 218.68
    2-methyltetrahydrofuran 5452.15
    n-hexyl acetate 2225.96
    isooctane 169.49
    2-(2-butoxyethoxy)ethanol 1788.48
    sec-butyl acetate 1282.27
    tert-butyl acetate 2311.11
    decalin 303.47
    glycerin 1083.55
    diglyme 2740.7
    acrylic acid 1926.99
    isopropyl myristate 612.82
    n-butyric acid 4831.7
    acetyl acetate 2078.28
    di(2-ethylhexyl) phthalate 533.95
    ethyl propionate 1401.86
    nitromethane 5165.12
    1,2-diethoxyethane 2269.29
    benzonitrile 1492.12
    trioctyl phosphate 404.05
    1-bromopropane 2447.69
    gamma-valerolactone 4997.05
    n-decanol 525.08
    triethyl phosphate 468.14
    4-methyl-2-pentanol 1135.41
    propionitrile 2267.44
    vinylene carbonate 1974.59
    1,1,2-trichlorotrifluoroethane 2845.16
    DMS 1095.2
    cumene 365.96
    2-octanol 630.01
    2-hexanone 1856.85
    octyl acetate 805.42
    limonene 770.79
    1,2-dimethoxyethane 3112.03
    ethyl orthosilicate 499.15
    tributyl phosphate 563.04
    diacetone alcohol 2099.27
    N,N-dimethylaniline 642.29
    acrylonitrile 2157.51
    aniline 1353.8
    1,3-propanediol 2080.45
    bromobenzene 1802.73
    dibromomethane 3901.77
    1,1,2,2-tetrachloroethane 4751.37
    2-methyl-cyclohexyl acetate 1042.64
    tetrabutyl urea 633.97
    diisobutyl methanol 619.86
    2-phenylethanol 1067.88
    styrene 688.43
    dioctyl adipate 851.65
    dimethyl sulfate 868.0
    ethyl butyrate 1425.02
    methyl lactate 790.71
    butyl lactate 992.1
    diethyl carbonate 788.43
    propanediol butyl ether 1363.65
    triethyl orthoformate 863.84
    p-tert-butyltoluene 372.05
    methyl 4-tert-butylbenzoate 851.31
    morpholine 5980.17
    tert-butylamine 2930.08
    n-dodecanol 372.83
    dimethoxymethane 1898.58
    ethylene carbonate 1871.15
    cyrene 860.38
    2-ethoxyethyl acetate 1596.5
    2-ethylhexyl acetate 1632.21
    1,2,4-trichlorobenzene 1527.26
    4-methylpyridine 3002.4
    dibutyl ether 1406.13
    2,6-dimethyl-4-heptanol 619.86
    DEF 2877.93
    dimethyl isosorbide 1730.82
    tetrachloroethylene 3087.09
    eugenol 836.91
    triacetin 1342.17
    span 80 1221.65
    1,4-butanediol 767.94
    1,1-dichloroethane 4230.01
    2-methyl-1-pentanol 1699.31
    methyl formate 1389.91
    2-methyl-1-butanol 2540.51
    n-decane 145.25
    butyronitrile 3223.03
    3,7-dimethyl-1-octanol 925.09
    1-chlorooctane 649.25
    1-chlorotetradecane 219.79
    n-nonane 150.92
    undecane 101.75
    tert-butylcyclohexane 281.83
    cyclooctane 212.79
    cyclopentanol 3259.74
    tetrahydropyran 5957.0
    tert-amyl methyl ether 2089.01
    2,5,8-trioxanonane 1686.18
    1-hexene 1740.5
    2-isopropoxyethanol 1400.46
    2,2,2-trifluoroethanol 1111.24
    methyl butyrate 2083.4

    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