Butanoic acid, 2-butoxy-2-oxoethyl ester

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  • Identifiers

    CAS number
    94022-04-5

    Molecular formula
    C10H18O4

    SMILES
    CCCCOC(=O)COC(=O)CCC

  • Odor profile

    Fragrance
    Fruity 91.58%
    Winey 59.95%
    Fatty 54.85%
    Sweet 53.44%
    Caramellic 51.75%
    Buttery 45.59%
    Apple 44.11%
    Oily 44.04%
    Pineapple 43.34%
    Green 43.08%

     

    Flavor
    Fruity 84.33%
    Apple 56.27%
    Sweet 52.75%
    Pineapple 52.06%
    Fruit 50.49%
    Green 47.92%
    Waxy 47.3%
    Wine 43.66%
    Pear 41.46%
    Berry 39.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.25 (neutral)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 107.1 ˚C est.

  • Synonyms

    • 2-Butoxy-2-oxoethyl butyrate
    • 94022-04-5
    • (2-butoxy-2-oxoethyl) butanoate
    • Butyl butyrylglycollate
    • Butanoic acid, 2-butoxy-2-oxoethyl ester
    • SE76HL6VQC
    • NSC-13523
    • 2-BUTOXY-2-OXOETHYL BUTANOATE
    • NSC13523
    • EINECS 301-496-4
    • UNII-SE76HL6VQC
    • DTXSID60869175
    • HPIYZRUOQOGMEY-UHFFFAOYSA-N
    • NSC 13523
    • NS00064267

  • Applications

    Butanoic acid, 2-butoxy-2-oxoethyl ester (CAS 94022-04-5) is typically used as an organic synthesis intermediate and as a processing aid in polymer and coating formulations. It may function as a plasticizer or co-solvent in plastics, adhesives, inks, and paints, helping adjust flow, flexibility, and film formation. It can serve as a solvent or carrier in cleaning formulations and other industrial products. In perfumery and cosmetics, it can act as a fragrance-related intermediate or odor carrier. It may also be evaluated as a building block for pharmaceutical or agrochemical synthesis. All uses depend on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1405.96
    methanol 2669.78
    isopropanol 703.14
    water 1.31
    ethyl acetate 1501.67
    n-propanol 816.29
    acetone 2958.93
    n-butanol 715.27
    acetonitrile 2068.54
    DMF 4091.89
    toluene 548.07
    isobutanol 580.85
    1,4-dioxane 1221.64
    methyl acetate 1372.23
    THF 1815.8
    2-butanone 1652.43
    n-pentanol 486.88
    sec-butanol 709.29
    n-hexane 44.73
    ethylene glycol 301.17
    NMP 3680.48
    cyclohexane 90.0
    DMSO 6329.97
    n-butyl acetate 863.2
    n-octanol 149.31
    chloroform 2785.27
    n-propyl acetate 799.48
    acetic acid 2721.97
    dichloromethane 3519.79
    cyclohexanone 2286.67
    propylene glycol 317.02
    isopropyl acetate 748.8
    DMAc 2939.84
    2-ethoxyethanol 978.76
    isopentanol 633.75
    n-heptane 15.4
    ethyl formate 1021.93
    1,2-dichloroethane 2775.06
    n-hexanol 335.91
    2-methoxyethanol 1913.75
    isobutyl acetate 384.18
    tetrachloromethane 253.48
    n-pentyl acetate 405.7
    transcutol 3093.96
    n-heptanol 127.55
    ethylbenzene 294.48
    MIBK 598.48
    2-propoxyethanol 748.37
    tert-butanol 898.06
    MTBE 695.11
    2-butoxyethanol 384.47
    propionic acid 1213.69
    o-xylene 364.27
    formic acid 1091.21
    diethyl ether 718.23
    m-xylene 322.39
    p-xylene 406.52
    chlorobenzene 1023.46
    dimethyl carbonate 479.89
    n-octane 8.68
    formamide 2156.13
    cyclopentanone 2528.59
    2-pentanone 1265.14
    anisole 681.12
    cyclopentyl methyl ether 911.91
    gamma-butyrolactone 3064.5
    1-methoxy-2-propanol 1031.9
    pyridine 2009.5
    3-pentanone 872.38
    furfural 2707.31
    n-dodecane 8.04
    diethylene glycol 678.82
    diisopropyl ether 167.5
    tert-amyl alcohol 856.69
    acetylacetone 1779.51
    n-hexadecane 9.65
    acetophenone 868.19
    methyl propionate 1126.57
    isopentyl acetate 712.67
    trichloroethylene 4965.93
    n-nonanol 127.12
    cyclohexanol 807.55
    benzyl alcohol 645.86
    2-ethylhexanol 210.03
    isooctanol 114.72
    dipropyl ether 188.64
    1,2-dichlorobenzene 992.24
    ethyl lactate 319.6
    propylene carbonate 1322.72
    n-methylformamide 2054.26
    2-pentanol 462.22
    n-pentane 36.66
    1-propoxy-2-propanol 483.92
    1-methoxy-2-propyl acetate 675.48
    2-(2-methoxypropoxy) propanol 513.8
    mesitylene 181.78
    ε-caprolactone 1794.25
    p-cymene 137.96
    epichlorohydrin 3054.28
    1,1,1-trichloroethane 1646.08
    2-aminoethanol 605.14
    morpholine-4-carbaldehyde 2156.46
    sulfolane 3736.19
    2,2,4-trimethylpentane 31.68
    2-methyltetrahydrofuran 1398.73
    n-hexyl acetate 573.16
    isooctane 18.11
    2-(2-butoxyethoxy)ethanol 683.83
    sec-butyl acetate 482.18
    tert-butyl acetate 749.57
    decalin 61.95
    glycerin 482.97
    diglyme 1417.48
    acrylic acid 1225.39
    isopropyl myristate 159.39
    n-butyric acid 1521.97
    acetyl acetate 1101.39
    di(2-ethylhexyl) phthalate 209.9
    ethyl propionate 709.11
    nitromethane 5182.39
    1,2-diethoxyethane 712.32
    benzonitrile 993.24
    trioctyl phosphate 123.65
    1-bromopropane 959.08
    gamma-valerolactone 2783.26
    n-decanol 88.44
    triethyl phosphate 243.61
    4-methyl-2-pentanol 223.73
    propionitrile 1053.29
    vinylene carbonate 1277.47
    1,1,2-trichlorotrifluoroethane 2100.06
    DMS 669.78
    cumene 178.84
    2-octanol 101.3
    2-hexanone 700.61
    octyl acetate 216.54
    limonene 218.43
    1,2-dimethoxyethane 1523.21
    ethyl orthosilicate 207.7
    tributyl phosphate 212.1
    diacetone alcohol 880.07
    N,N-dimethylaniline 459.19
    acrylonitrile 1817.47
    aniline 788.45
    1,3-propanediol 810.5
    bromobenzene 1094.36
    dibromomethane 2099.5
    1,1,2,2-tetrachloroethane 3567.22
    2-methyl-cyclohexyl acetate 398.53
    tetrabutyl urea 263.09
    diisobutyl methanol 124.86
    2-phenylethanol 443.09
    styrene 434.64
    dioctyl adipate 326.38
    dimethyl sulfate 960.21
    ethyl butyrate 508.52
    methyl lactate 527.6
    butyl lactate 375.18
    diethyl carbonate 372.12
    propanediol butyl ether 473.97
    triethyl orthoformate 283.37
    p-tert-butyltoluene 121.36
    methyl 4-tert-butylbenzoate 444.42
    morpholine 1867.69
    tert-butylamine 483.33
    n-dodecanol 65.12
    dimethoxymethane 1171.92
    ethylene carbonate 976.63
    cyrene 556.5
    2-ethoxyethyl acetate 639.18
    2-ethylhexyl acetate 525.56
    1,2,4-trichlorobenzene 1133.83
    4-methylpyridine 2067.74
    dibutyl ether 231.49
    2,6-dimethyl-4-heptanol 124.86
    DEF 1751.97
    dimethyl isosorbide 865.11
    tetrachloroethylene 2140.15
    eugenol 456.05
    triacetin 594.24
    span 80 404.69
    1,4-butanediol 327.68
    1,1-dichloroethane 1977.62
    2-methyl-1-pentanol 512.3
    methyl formate 1417.54
    2-methyl-1-butanol 648.05
    n-decane 13.7
    butyronitrile 1017.88
    3,7-dimethyl-1-octanol 201.09
    1-chlorooctane 105.52
    1-chlorotetradecane 38.35
    n-nonane 13.08
    undecane 9.95
    tert-butylcyclohexane 44.48
    cyclooctane 22.47
    cyclopentanol 814.18
    tetrahydropyran 1189.13
    tert-amyl methyl ether 590.28
    2,5,8-trioxanonane 908.61
    1-hexene 234.84
    2-isopropoxyethanol 559.31
    2,2,2-trifluoroethanol 732.75
    methyl butyrate 1116.44

    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