Butoxy(oxo)acetate

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  • Identifiers

    CAS number
    13318-13-3

    Molecular formula
    C6H9O4-

    SMILES
    CCCCOC(=O)C(=O)[O-]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 73.25%
    Caramellic 64.26%
    Sweet 55.5%
    Winey 52.79%
    Herbal 43.96%
    Buttery 38.26%
    Creamy 33.48%
    Fatty 33.31%
    Oily 30.61%
    Sour 27.4%

     

    Flavor
    Fruity 48.6%
    Creamy 28.29%
    Caramel 28.26%
    Buttery 27.49%
    Cheese 24.03%
    Sour 22.87%
    Oily 22.26%
    Broccoli 21.73%
    Odorless 21.56%
    Butter 21.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    4.37 (weak acid)

    Molecular weight
    145.13 g/mol

    Flash point

    • 48.74 ˚C est.

  • Synonyms

    • Butoxy(oxo)acetate
    • 13318-13-3
    • 2-butoxy-2-oxoacetate
    • Ethanedioic acid, 1-butyl ester
    • DTXSID70619805
    • n-butyloxalate
    • DTXCID80570559
    • VJKHMZIJJRHRTE-UHFFFAOYSA-M

  • Applications

    Butoxy(oxo)acetate (CAS 13318-13-3) is primarily used as an organic synthesis intermediate, supplying building blocks for pharmaceutical, agrochemical, and specialty chemicals. It can function as a solvent or co-solvent in coatings, inks, and cleaning formulations. It serves as a processing aid and may act as a plasticizer in polymer and resin formulations. It can also be used as a reactive diluent or precursor in coatings and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 536.49
    methanol 906.88
    isopropanol 249.02
    water 4.88
    ethyl acetate 483.99
    n-propanol 342.09
    acetone 862.34
    n-butanol 304.06
    acetonitrile 372.17
    DMF 2779.43
    toluene 123.58
    isobutanol 207.0
    1,4-dioxane 341.79
    methyl acetate 560.58
    THF 874.92
    2-butanone 634.68
    n-pentanol 157.16
    sec-butanol 257.6
    n-hexane 10.95
    ethylene glycol 354.56
    NMP 3515.09
    cyclohexane 20.28
    DMSO 5118.6
    n-butyl acetate 296.82
    n-octanol 66.1
    chloroform 365.72
    n-propyl acetate 205.89
    acetic acid 1004.62
    dichloromethane 690.37
    cyclohexanone 774.72
    propylene glycol 381.08
    isopropyl acetate 257.58
    DMAc 1562.43
    2-ethoxyethanol 508.77
    isopentanol 243.63
    n-heptane 9.49
    ethyl formate 451.02
    1,2-dichloroethane 791.4
    n-hexanol 157.0
    2-methoxyethanol 1593.91
    isobutyl acetate 76.22
    tetrachloromethane 60.97
    n-pentyl acetate 155.61
    transcutol 1686.69
    n-heptanol 63.51
    ethylbenzene 62.69
    MIBK 252.79
    2-propoxyethanol 476.34
    tert-butanol 327.61
    MTBE 203.03
    2-butoxyethanol 229.34
    propionic acid 576.82
    o-xylene 120.78
    formic acid 1015.58
    diethyl ether 184.69
    m-xylene 96.44
    p-xylene 62.81
    chlorobenzene 251.59
    dimethyl carbonate 370.09
    n-octane 3.7
    formamide 2142.61
    cyclopentanone 1177.07
    2-pentanone 510.25
    anisole 226.23
    cyclopentyl methyl ether 409.01
    gamma-butyrolactone 1608.47
    1-methoxy-2-propanol 917.12
    pyridine 630.16
    3-pentanone 340.28
    furfural 2037.57
    n-dodecane 2.86
    diethylene glycol 633.76
    diisopropyl ether 54.57
    tert-amyl alcohol 344.68
    acetylacetone 868.32
    n-hexadecane 3.38
    acetophenone 360.9
    methyl propionate 593.77
    isopentyl acetate 253.2
    trichloroethylene 1448.57
    n-nonanol 57.21
    cyclohexanol 256.8
    benzyl alcohol 291.62
    2-ethylhexanol 95.03
    isooctanol 48.68
    dipropyl ether 70.61
    1,2-dichlorobenzene 353.7
    ethyl lactate 193.7
    propylene carbonate 770.69
    n-methylformamide 1686.61
    2-pentanol 183.96
    n-pentane 15.04
    1-propoxy-2-propanol 298.54
    1-methoxy-2-propyl acetate 450.8
    2-(2-methoxypropoxy) propanol 307.73
    mesitylene 61.65
    ε-caprolactone 773.77
    p-cymene 51.99
    epichlorohydrin 1808.92
    1,1,1-trichloroethane 317.21
    2-aminoethanol 485.46
    morpholine-4-carbaldehyde 1773.01
    sulfolane 3519.77
    2,2,4-trimethylpentane 11.75
    2-methyltetrahydrofuran 654.81
    n-hexyl acetate 231.32
    isooctane 7.12
    2-(2-butoxyethoxy)ethanol 455.95
    sec-butyl acetate 133.16
    tert-butyl acetate 350.3
    decalin 14.75
    glycerin 627.67
    diglyme 833.11
    acrylic acid 790.7
    isopropyl myristate 58.22
    n-butyric acid 650.58
    acetyl acetate 358.44
    di(2-ethylhexyl) phthalate 94.01
    ethyl propionate 219.89
    nitromethane 2480.57
    1,2-diethoxyethane 227.12
    benzonitrile 298.62
    trioctyl phosphate 61.72
    1-bromopropane 218.35
    gamma-valerolactone 1686.03
    n-decanol 41.06
    triethyl phosphate 98.42
    4-methyl-2-pentanol 92.14
    propionitrile 244.33
    vinylene carbonate 673.11
    1,1,2-trichlorotrifluoroethane 1420.55
    DMS 374.34
    cumene 46.43
    2-octanol 42.95
    2-hexanone 207.38
    octyl acetate 92.22
    limonene 93.31
    1,2-dimethoxyethane 562.79
    ethyl orthosilicate 78.47
    tributyl phosphate 96.14
    diacetone alcohol 744.54
    N,N-dimethylaniline 169.9
    acrylonitrile 555.62
    aniline 316.19
    1,3-propanediol 652.76
    bromobenzene 210.95
    dibromomethane 363.71
    1,1,2,2-tetrachloroethane 1021.21
    2-methyl-cyclohexyl acetate 141.24
    tetrabutyl urea 136.05
    diisobutyl methanol 57.44
    2-phenylethanol 246.52
    styrene 87.59
    dioctyl adipate 122.91
    dimethyl sulfate 1068.16
    ethyl butyrate 178.75
    methyl lactate 584.68
    butyl lactate 213.31
    diethyl carbonate 123.51
    propanediol butyl ether 347.73
    triethyl orthoformate 100.25
    p-tert-butyltoluene 52.24
    methyl 4-tert-butylbenzoate 237.91
    morpholine 665.01
    tert-butylamine 147.49
    n-dodecanol 28.69
    dimethoxymethane 733.73
    ethylene carbonate 425.07
    cyrene 417.45
    2-ethoxyethyl acetate 328.32
    2-ethylhexyl acetate 168.67
    1,2,4-trichlorobenzene 474.64
    4-methylpyridine 643.05
    dibutyl ether 67.67
    2,6-dimethyl-4-heptanol 57.44
    DEF 938.98
    dimethyl isosorbide 585.93
    tetrachloroethylene 649.0
    eugenol 263.49
    triacetin 281.49
    span 80 240.57
    1,4-butanediol 185.29
    1,1-dichloroethane 342.98
    2-methyl-1-pentanol 162.13
    methyl formate 1036.66
    2-methyl-1-butanol 255.21
    n-decane 4.65
    butyronitrile 209.08
    3,7-dimethyl-1-octanol 85.45
    1-chlorooctane 35.79
    1-chlorotetradecane 12.69
    n-nonane 4.46
    undecane 3.62
    tert-butylcyclohexane 11.04
    cyclooctane 8.81
    cyclopentanol 352.03
    tetrahydropyran 291.37
    tert-amyl methyl ether 228.02
    2,5,8-trioxanonane 529.21
    1-hexene 46.68
    2-isopropoxyethanol 236.15
    2,2,2-trifluoroethanol 395.46
    methyl butyrate 345.62

    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