Ethyl 2-[(acetyloxy)methyl]butanoate

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  • Identifiers

    CAS number
    88226-63-5

    Molecular formula
    C9H16O4

    SMILES
    CCC(COC(=O)C)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 95.94%
    Apple 60.36%
    Tropical 49.53%
    Pineapple 43.38%
    Winey 42.84%
    Sweet 40.66%
    Green 40.08%
    Ethereal 37.02%
    Fresh 35.43%
    Grape 31.65%

     

    Flavor
    Fruity 84.48%
    Bitter 46.13%
    Apple 43.42%
    Fruit 42.44%
    Mild 41.99%
    Green 39.83%
    Wine 38.65%
    Grape 36.5%
    Tropical 36.07%
    Waxy 34.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.55 (neutral)

    Molecular weight
    188.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    216°C

    Flash point

    • 92.26 ˚C est.

  • Synonyms

    • 88226-63-5
    • Ethyl 2-[(acetyloxy)methyl]butanoate
    • DTXSID00521184

  • Applications

    Ethyl 2-[(acetyloxy)methyl]butanoate, CAS 88226-63-5, is primarily used as an intermediate in fragrance chemistry and as a protected hydroxyl ester in organic synthesis. In perfumery, it serves as a fragrance intermediate or odor precursor for developing more complex aroma compounds. In cosmetics and personal care, it may be used as a fragrance ingredient or processing aid to modulate scent characteristics in formulations. In industrial manufacturing, it functions as an intermediate for synthesizing other esters and may be used as a solvent or processing aid for niche applications. In polymers/plastics and coatings/inks, it can act as a building block for ester-containing polymers or as a processing aid. In chemical synthesis, it can serve as a protecting group for hydroxyl functionalities during multi-step sequences.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1217.94
    methanol 1984.33
    isopropanol 1111.66
    water 15.16
    ethyl acetate 919.05
    n-propanol 919.85
    acetone 2274.13
    n-butanol 731.5
    acetonitrile 1685.67
    DMF 2743.36
    toluene 377.17
    isobutanol 708.05
    1,4-dioxane 1539.88
    methyl acetate 1018.16
    THF 1907.74
    2-butanone 1051.95
    n-pentanol 506.67
    sec-butanol 897.25
    n-hexane 50.1
    ethylene glycol 335.06
    NMP 2962.6
    cyclohexane 84.76
    DMSO 2706.32
    n-butyl acetate 370.18
    n-octanol 199.8
    chloroform 2597.7
    n-propyl acetate 463.36
    acetic acid 3246.35
    dichloromethane 2675.78
    cyclohexanone 1749.15
    propylene glycol 485.52
    isopropyl acetate 546.67
    DMAc 2267.65
    2-ethoxyethanol 758.81
    isopentanol 574.49
    n-heptane 16.8
    ethyl formate 753.47
    1,2-dichloroethane 1390.46
    n-hexanol 305.83
    2-methoxyethanol 1388.76
    isobutyl acetate 277.36
    tetrachloromethane 205.95
    n-pentyl acetate 292.39
    transcutol 1366.34
    n-heptanol 137.42
    ethylbenzene 226.11
    MIBK 418.87
    2-propoxyethanol 545.42
    tert-butanol 1231.13
    MTBE 680.29
    2-butoxyethanol 290.45
    propionic acid 1313.43
    o-xylene 299.26
    formic acid 1119.98
    diethyl ether 564.72
    m-xylene 278.11
    p-xylene 337.08
    chlorobenzene 718.63
    dimethyl carbonate 410.17
    n-octane 11.59
    formamide 1383.93
    cyclopentanone 1999.74
    2-pentanone 786.61
    anisole 499.15
    cyclopentyl methyl ether 797.1
    gamma-butyrolactone 2776.47
    1-methoxy-2-propanol 970.77
    pyridine 1316.66
    3-pentanone 594.55
    furfural 1989.39
    n-dodecane 13.65
    diethylene glycol 482.18
    diisopropyl ether 140.96
    tert-amyl alcohol 976.97
    acetylacetone 1112.4
    n-hexadecane 15.83
    acetophenone 609.41
    methyl propionate 811.2
    isopentyl acetate 327.4
    trichloroethylene 2941.29
    n-nonanol 163.67
    cyclohexanol 914.46
    benzyl alcohol 558.59
    2-ethylhexanol 168.33
    isooctanol 120.07
    dipropyl ether 160.53
    1,2-dichlorobenzene 675.12
    ethyl lactate 269.87
    propylene carbonate 1316.79
    n-methylformamide 1484.86
    2-pentanol 489.36
    n-pentane 42.07
    1-propoxy-2-propanol 350.56
    1-methoxy-2-propyl acetate 388.12
    2-(2-methoxypropoxy) propanol 358.73
    mesitylene 158.63
    ε-caprolactone 1505.14
    p-cymene 104.61
    epichlorohydrin 2065.03
    1,1,1-trichloroethane 1111.83
    2-aminoethanol 598.21
    morpholine-4-carbaldehyde 1888.29
    sulfolane 2914.59
    2,2,4-trimethylpentane 37.5
    2-methyltetrahydrofuran 1336.99
    n-hexyl acetate 476.83
    isooctane 21.05
    2-(2-butoxyethoxy)ethanol 448.06
    sec-butyl acetate 295.79
    tert-butyl acetate 525.42
    decalin 54.04
    glycerin 620.5
    diglyme 823.93
    acrylic acid 1252.39
    isopropyl myristate 148.26
    n-butyric acid 1364.93
    acetyl acetate 756.23
    di(2-ethylhexyl) phthalate 178.87
    ethyl propionate 446.2
    nitromethane 4048.97
    1,2-diethoxyethane 385.26
    benzonitrile 779.45
    trioctyl phosphate 123.1
    1-bromopropane 611.68
    gamma-valerolactone 2411.64
    n-decanol 112.69
    triethyl phosphate 172.87
    4-methyl-2-pentanol 226.52
    propionitrile 902.88
    vinylene carbonate 1317.49
    1,1,2-trichlorotrifluoroethane 1421.6
    DMS 444.74
    cumene 154.14
    2-octanol 125.14
    2-hexanone 467.1
    octyl acetate 204.97
    limonene 158.17
    1,2-dimethoxyethane 1156.27
    ethyl orthosilicate 148.77
    tributyl phosphate 175.57
    diacetone alcohol 638.64
    N,N-dimethylaniline 356.98
    acrylonitrile 1243.94
    aniline 633.42
    1,3-propanediol 809.49
    bromobenzene 718.25
    dibromomethane 1499.46
    1,1,2,2-tetrachloroethane 2121.95
    2-methyl-cyclohexyl acetate 268.51
    tetrabutyl urea 228.13
    diisobutyl methanol 102.07
    2-phenylethanol 320.69
    styrene 292.42
    dioctyl adipate 261.03
    dimethyl sulfate 859.42
    ethyl butyrate 291.59
    methyl lactate 475.03
    butyl lactate 271.1
    diethyl carbonate 230.1
    propanediol butyl ether 400.4
    triethyl orthoformate 197.25
    p-tert-butyltoluene 98.07
    methyl 4-tert-butylbenzoate 385.98
    morpholine 1791.38
    tert-butylamine 633.5
    n-dodecanol 84.39
    dimethoxymethane 952.48
    ethylene carbonate 1005.03
    cyrene 480.01
    2-ethoxyethyl acetate 392.42
    2-ethylhexyl acetate 246.16
    1,2,4-trichlorobenzene 827.48
    4-methylpyridine 1506.02
    dibutyl ether 210.26
    2,6-dimethyl-4-heptanol 102.07
    DEF 1046.9
    dimethyl isosorbide 600.12
    tetrachloroethylene 1159.49
    eugenol 349.52
    triacetin 514.11
    span 80 332.77
    1,4-butanediol 342.31
    1,1-dichloroethane 1423.19
    2-methyl-1-pentanol 463.42
    methyl formate 1190.63
    2-methyl-1-butanol 609.98
    n-decane 22.68
    butyronitrile 807.29
    3,7-dimethyl-1-octanol 186.05
    1-chlorooctane 121.71
    1-chlorotetradecane 47.32
    n-nonane 21.77
    undecane 16.86
    tert-butylcyclohexane 48.26
    cyclooctane 20.97
    cyclopentanol 1026.78
    tetrahydropyran 1271.68
    tert-amyl methyl ether 488.37
    2,5,8-trioxanonane 551.45
    1-hexene 215.39
    2-isopropoxyethanol 471.21
    2,2,2-trifluoroethanol 886.48
    methyl butyrate 650.39

    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