Isopropyl 2-ethylbutyrate

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  • Identifiers

    CAS number
    5129-47-5

    Molecular formula
    C9H18O2

    SMILES
    CCC(CC)C(=O)OC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 96.06%
    Apple 63.82%
    Herbal 43.39%
    Pineapple 42.88%
    Ethereal 42.18%
    Sweet 42.12%
    Banana 38.98%
    Winey 36.56%
    Berry 36.22%
    Fatty 36.01%

     

    Flavor
    Fruity 90.48%
    Sweet 53.76%
    Green 51.19%
    Pineapple 48.16%
    Apple 47.4%
    Berry 44.28%
    Tropical 41.29%
    Fruit 35.4%
    Banana 30.43%
    Pear 29.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.63 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    162°C

    Flash point

    • 58.79 ˚C est.

  • Synonyms

    • Isopropyl 2-ethylbutyrate
    • 5129-47-5
    • AI3-30213
    • EINECS 225-871-6
    • Butanoic acid, 2-ethyl-, 1-methylethyl ester
    • DTXSID00199286
    • NSC 20007
    • RefChem:149799
    • DTXCID30121777
    • 225-871-6
    • propan-2-yl 2-ethylbutanoate
    • VZ4JW576ZU
    • NSC-20007
    • Butanoic acid, 2-ethyl, 1-methylethyl ester
    • NSC20007
    • UNII-VZ4JW576ZU
    • SCHEMBL684789
    • AKOS012565097
    • NS00032251
    • 5129-47-5

  • Applications

    Isopropyl 2-ethylbutyrate (CAS 5129-47-5) is an ester commonly used as a fragrance ingredient in perfumery and fragrance formulations; it may also serve as a fragrance component in cosmetics and personal care products. Its lightweight solvent properties support use in household products and cleaners, and it is applied as a solvent for coatings, inks, and adhesives in industrial settings. In polymer formulations, Isopropyl 2-ethylbutyrate can act as a plasticizer or processing aid for certain polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1871.58
    methanol 1931.22
    isopropanol 2040.89
    water 5.23
    ethyl acetate 1330.71
    n-propanol 1891.43
    acetone 2204.66
    n-butanol 1770.9
    acetonitrile 2376.2
    DMF 2101.69
    toluene 1214.59
    isobutanol 1669.26
    1,4-dioxane 2636.22
    methyl acetate 1363.63
    THF 3354.09
    2-butanone 1721.96
    n-pentanol 1333.37
    sec-butanol 2104.78
    n-hexane 1117.81
    ethylene glycol 256.48
    NMP 2690.31
    cyclohexane 1693.3
    DMSO 1465.63
    n-butyl acetate 1666.78
    n-octanol 1278.78
    chloroform 9029.83
    n-propyl acetate 1057.45
    acetic acid 2108.67
    dichloromethane 6219.31
    cyclohexanone 3658.89
    propylene glycol 559.05
    isopropyl acetate 862.48
    DMAc 1661.93
    2-ethoxyethanol 855.88
    isopentanol 1470.53
    n-heptane 651.72
    ethyl formate 1263.95
    1,2-dichloroethane 2815.18
    n-hexanol 1698.34
    2-methoxyethanol 1400.52
    isobutyl acetate 726.52
    tetrachloromethane 1558.51
    n-pentyl acetate 1214.56
    transcutol 1803.66
    n-heptanol 881.61
    ethylbenzene 889.69
    MIBK 823.7
    2-propoxyethanol 1286.03
    tert-butanol 2037.32
    MTBE 1490.84
    2-butoxyethanol 833.33
    propionic acid 1640.56
    o-xylene 838.84
    formic acid 424.85
    diethyl ether 1469.32
    m-xylene 771.03
    p-xylene 1323.81
    chlorobenzene 2269.88
    dimethyl carbonate 451.53
    n-octane 307.24
    formamide 530.61
    cyclopentanone 3258.43
    2-pentanone 1407.05
    anisole 1056.75
    cyclopentyl methyl ether 1791.22
    gamma-butyrolactone 3520.72
    1-methoxy-2-propanol 1175.66
    pyridine 3082.25
    3-pentanone 1095.54
    furfural 2694.55
    n-dodecane 231.57
    diethylene glycol 700.41
    diisopropyl ether 536.07
    tert-amyl alcohol 1933.21
    acetylacetone 1202.91
    n-hexadecane 261.67
    acetophenone 1094.06
    methyl propionate 1039.89
    isopentyl acetate 1371.04
    trichloroethylene 5924.29
    n-nonanol 979.88
    cyclohexanol 2540.5
    benzyl alcohol 991.27
    2-ethylhexanol 1140.91
    isooctanol 695.83
    dipropyl ether 1044.76
    1,2-dichlorobenzene 1960.41
    ethyl lactate 499.95
    propylene carbonate 2115.3
    n-methylformamide 1222.22
    2-pentanol 1366.67
    n-pentane 760.85
    1-propoxy-2-propanol 1128.9
    1-methoxy-2-propyl acetate 933.63
    2-(2-methoxypropoxy) propanol 749.28
    mesitylene 557.22
    ε-caprolactone 2675.88
    p-cymene 647.34
    epichlorohydrin 2868.38
    1,1,1-trichloroethane 3725.68
    2-aminoethanol 639.8
    morpholine-4-carbaldehyde 1789.46
    sulfolane 3519.22
    2,2,4-trimethylpentane 328.63
    2-methyltetrahydrofuran 2809.42
    n-hexyl acetate 1906.88
    isooctane 227.14
    2-(2-butoxyethoxy)ethanol 919.47
    sec-butyl acetate 679.01
    tert-butyl acetate 892.68
    decalin 551.2
    glycerin 523.04
    diglyme 1517.85
    acrylic acid 1341.56
    isopropyl myristate 698.93
    n-butyric acid 2084.11
    acetyl acetate 935.03
    di(2-ethylhexyl) phthalate 577.46
    ethyl propionate 904.56
    nitromethane 2329.02
    1,2-diethoxyethane 986.91
    benzonitrile 1916.02
    trioctyl phosphate 510.88
    1-bromopropane 2509.61
    gamma-valerolactone 2972.72
    n-decanol 669.35
    triethyl phosphate 537.11
    4-methyl-2-pentanol 672.4
    propionitrile 1952.25
    vinylene carbonate 2060.63
    1,1,2-trichlorotrifluoroethane 1928.04
    DMS 917.41
    cumene 620.91
    2-octanol 930.82
    2-hexanone 1243.31
    octyl acetate 925.14
    limonene 987.06
    1,2-dimethoxyethane 1753.61
    ethyl orthosilicate 492.49
    tributyl phosphate 624.47
    diacetone alcohol 891.38
    N,N-dimethylaniline 798.41
    acrylonitrile 1992.24
    aniline 1269.67
    1,3-propanediol 949.63
    bromobenzene 2611.56
    dibromomethane 4823.14
    1,1,2,2-tetrachloroethane 5136.14
    2-methyl-cyclohexyl acetate 996.37
    tetrabutyl urea 760.08
    diisobutyl methanol 579.13
    2-phenylethanol 1046.81
    styrene 1116.2
    dioctyl adipate 931.49
    dimethyl sulfate 717.6
    ethyl butyrate 1112.9
    methyl lactate 541.25
    butyl lactate 851.48
    diethyl carbonate 825.18
    propanediol butyl ether 932.49
    triethyl orthoformate 749.17
    p-tert-butyltoluene 602.86
    methyl 4-tert-butylbenzoate 966.82
    morpholine 2715.79
    tert-butylamine 1625.94
    n-dodecanol 528.29
    dimethoxymethane 1041.61
    ethylene carbonate 1678.59
    cyrene 726.04
    2-ethoxyethyl acetate 877.59
    2-ethylhexyl acetate 1120.0
    1,2,4-trichlorobenzene 2142.77
    4-methylpyridine 2865.4
    dibutyl ether 1268.96
    2,6-dimethyl-4-heptanol 579.13
    DEF 1364.68
    dimethyl isosorbide 1279.7
    tetrachloroethylene 3181.83
    eugenol 815.49
    triacetin 1118.33
    span 80 973.53
    1,4-butanediol 481.44
    1,1-dichloroethane 3782.81
    2-methyl-1-pentanol 1213.06
    methyl formate 1034.09
    2-methyl-1-butanol 1539.06
    n-decane 390.66
    butyronitrile 2311.15
    3,7-dimethyl-1-octanol 987.61
    1-chlorooctane 1067.17
    1-chlorotetradecane 435.61
    n-nonane 448.1
    undecane 284.24
    tert-butylcyclohexane 480.54
    cyclooctane 462.35
    cyclopentanol 2515.54
    tetrahydropyran 3381.23
    tert-amyl methyl ether 1119.83
    2,5,8-trioxanonane 1038.7
    1-hexene 1955.55
    2-isopropoxyethanol 637.24
    2,2,2-trifluoroethanol 590.03
    methyl butyrate 1386.9

    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