Butyl 2-ethylbutyrate

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  • Identifiers

    CAS number
    5129-48-6

    Molecular formula
    C10H20O2

    SMILES
    CCCCOC(=O)C(CC)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.24%
    Apple 64.85%
    Herbal 52.8%
    Sweet 44.91%
    Fatty 43.69%
    Oily 42.06%
    Winey 41.82%
    Pineapple 40.77%
    Green 37.53%
    Ethereal 36.45%

     

    Flavor
    Fruity 87.6%
    Green 62.48%
    Apple 57.22%
    Sweet 52.47%
    Waxy 47.59%
    Pineapple 44.93%
    Berry 42.85%
    Tropical 41.29%
    Fruit 39.26%
    Pear 38.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.35 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point

    • 72.25 ˚C est.

  • Synonyms

    • Butyl 2-ethylbutyrate
    • butyl 2-ethylbutanoate
    • 5129-48-6
    • EINECS 225-872-1
    • n-Butylalkohol Athyl-n-Butyrat
    • SCHEMBL1759482
    • DTXSID60199287
    • AKOS017416995
    • NS00032252
    • Q63396090
    • 5129-48-6

  • Applications

    Butyl 2-ethylbutyrate (CAS 5129-48-6) is primarily encountered as a fragrance ingredient in perfumery and flavor applications, contributing fruity notes; in cosmetics and personal care it is used as a scent component; in household products it may be added to impart aroma in cleaners and air fresheners; in industrial contexts it may serve as a solvent or processing aid in fragrance formulations, coatings, or inks; it can also be used as an intermediate in organic synthesis to prepare other aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12227.92
    methanol 12482.0
    isopropanol 12319.07
    water 3.58
    ethyl acetate 10585.08
    n-propanol 11010.54
    acetone 16769.47
    n-butanol 10608.77
    acetonitrile 16506.23
    DMF 11091.85
    toluene 4811.3
    isobutanol 10431.98
    1,4-dioxane 13185.99
    methyl acetate 8612.51
    THF 14114.49
    2-butanone 12091.97
    n-pentanol 6583.94
    sec-butanol 12052.8
    n-hexane 4240.39
    ethylene glycol 840.61
    NMP 9731.5
    cyclohexane 7282.01
    DMSO 7618.56
    n-butyl acetate 10456.33
    n-octanol 4139.26
    chloroform 34020.38
    n-propyl acetate 7033.94
    acetic acid 11272.79
    dichloromethane 27398.24
    cyclohexanone 20199.97
    propylene glycol 1688.6
    isopropyl acetate 6079.6
    DMAc 6651.93
    2-ethoxyethanol 4963.15
    isopentanol 9395.27
    n-heptane 1777.47
    ethyl formate 7238.86
    1,2-dichloroethane 17191.16
    n-hexanol 6840.53
    2-methoxyethanol 7519.48
    isobutyl acetate 3788.59
    tetrachloromethane 6400.25
    n-pentyl acetate 6306.61
    transcutol 10900.66
    n-heptanol 3310.73
    ethylbenzene 3089.07
    MIBK 4884.03
    2-propoxyethanol 6007.19
    tert-butanol 12380.39
    MTBE 11841.12
    2-butoxyethanol 3757.34
    propionic acid 8118.27
    o-xylene 2730.39
    formic acid 2060.17
    diethyl ether 11902.11
    m-xylene 2699.28
    p-xylene 4645.27
    chlorobenzene 10252.3
    dimethyl carbonate 1838.09
    n-octane 899.66
    formamide 3217.11
    cyclopentanone 14829.37
    2-pentanone 9889.95
    anisole 4571.27
    cyclopentyl methyl ether 8230.06
    gamma-butyrolactone 14665.95
    1-methoxy-2-propanol 5276.8
    pyridine 16721.2
    3-pentanone 6805.86
    furfural 10236.64
    n-dodecane 493.96
    diethylene glycol 2585.38
    diisopropyl ether 3328.49
    tert-amyl alcohol 11116.35
    acetylacetone 7079.39
    n-hexadecane 592.18
    acetophenone 4039.37
    methyl propionate 5861.49
    isopentyl acetate 7807.27
    trichloroethylene 29790.31
    n-nonanol 3217.32
    cyclohexanol 12591.84
    benzyl alcohol 3602.71
    2-ethylhexanol 4526.76
    isooctanol 2735.12
    dipropyl ether 5065.48
    1,2-dichlorobenzene 7636.44
    ethyl lactate 1752.26
    propylene carbonate 8013.18
    n-methylformamide 7190.13
    2-pentanol 8354.59
    n-pentane 2907.05
    1-propoxy-2-propanol 5410.92
    1-methoxy-2-propyl acetate 4066.02
    2-(2-methoxypropoxy) propanol 2336.18
    mesitylene 1887.83
    ε-caprolactone 13972.49
    p-cymene 1739.95
    epichlorohydrin 14950.95
    1,1,1-trichloroethane 18870.53
    2-aminoethanol 2662.9
    morpholine-4-carbaldehyde 7306.98
    sulfolane 12017.39
    2,2,4-trimethylpentane 1081.94
    2-methyltetrahydrofuran 14713.75
    n-hexyl acetate 7623.3
    isooctane 795.75
    2-(2-butoxyethoxy)ethanol 3517.92
    sec-butyl acetate 4164.53
    tert-butyl acetate 5063.95
    decalin 1789.62
    glycerin 1582.98
    diglyme 6772.98
    acrylic acid 6003.09
    isopropyl myristate 2360.8
    n-butyric acid 13382.69
    acetyl acetate 5136.83
    di(2-ethylhexyl) phthalate 1522.9
    ethyl propionate 5013.46
    nitromethane 14559.59
    1,2-diethoxyethane 6860.71
    benzonitrile 8420.17
    trioctyl phosphate 1370.61
    1-bromopropane 13518.6
    gamma-valerolactone 14124.26
    n-decanol 2089.46
    triethyl phosphate 1629.9
    4-methyl-2-pentanol 3401.13
    propionitrile 13081.2
    vinylene carbonate 7577.58
    1,1,2-trichlorotrifluoroethane 8163.8
    DMS 3337.8
    cumene 2003.63
    2-octanol 3205.66
    2-hexanone 6894.29
    octyl acetate 3048.31
    limonene 3092.75
    1,2-dimethoxyethane 10153.11
    ethyl orthosilicate 1660.54
    tributyl phosphate 1888.47
    diacetone alcohol 4087.69
    N,N-dimethylaniline 2732.99
    acrylonitrile 12052.35
    aniline 5835.71
    1,3-propanediol 4799.36
    bromobenzene 11561.17
    dibromomethane 20496.35
    1,1,2,2-tetrachloroethane 23519.42
    2-methyl-cyclohexyl acetate 3186.55
    tetrabutyl urea 2201.79
    diisobutyl methanol 2266.13
    2-phenylethanol 3409.59
    styrene 4356.54
    dioctyl adipate 2676.95
    dimethyl sulfate 2424.46
    ethyl butyrate 5253.86
    methyl lactate 1854.85
    butyl lactate 3280.37
    diethyl carbonate 3110.94
    propanediol butyl ether 3260.97
    triethyl orthoformate 3117.61
    p-tert-butyltoluene 1625.9
    methyl 4-tert-butylbenzoate 2911.61
    morpholine 16080.18
    tert-butylamine 9643.3
    n-dodecanol 1481.28
    dimethoxymethane 4915.77
    ethylene carbonate 7320.74
    cyrene 1849.01
    2-ethoxyethyl acetate 4654.48
    2-ethylhexyl acetate 5954.53
    1,2,4-trichlorobenzene 7656.4
    4-methylpyridine 15704.86
    dibutyl ether 6276.06
    2,6-dimethyl-4-heptanol 2266.13
    DEF 9379.28
    dimethyl isosorbide 3699.92
    tetrachloroethylene 15854.85
    eugenol 2596.46
    triacetin 3508.25
    span 80 2935.66
    1,4-butanediol 2004.85
    1,1-dichloroethane 22098.99
    2-methyl-1-pentanol 5927.31
    methyl formate 4964.83
    2-methyl-1-butanol 9231.96
    n-decane 1095.23
    butyronitrile 16406.53
    3,7-dimethyl-1-octanol 3630.69
    1-chlorooctane 3633.2
    1-chlorotetradecane 1141.44
    n-nonane 1258.95
    undecane 675.59
    tert-butylcyclohexane 1499.79
    cyclooctane 1560.9
    cyclopentanol 10568.92
    tetrahydropyran 20537.81
    tert-amyl methyl ether 6776.67
    2,5,8-trioxanonane 3417.23
    1-hexene 9223.63
    2-isopropoxyethanol 3499.03
    2,2,2-trifluoroethanol 2783.73
    methyl butyrate 8382.31

    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