Dibutyl Oxalate

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  • Identifiers

    CAS number
    2050-60-4

    Molecular formula
    C10H18O4

    SMILES
    CCCCOC(=O)C(=O)OCCCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.53%
    Herbal 64.67%
    Winey 59.34%
    Caramellic 50.25%
    Sweet 46.79%
    Oily 44.1%
    Floral 42.36%
    Green 39.93%
    Apple 39.24%
    Fatty 32.57%

     

    Flavor
    Fruity 62.09%
    Waxy 40.0%
    Green 33.82%
    Apple 32.61%
    Creamy 31.94%
    Wine 30.74%
    Fruit 29.4%
    Fatty 27.82%
    Cheese 27.52%
    Oily 27.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.01 (neutral)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -29 °C

    Boiling point

    • 241.00 °C. @ 760.00 mm Hg

    Flash point

    • 96.91 ˚C est.

  • Synonyms

    • Dibutyl oxalate
    • 2050-60-4
    • Di-n-butyl oxalate
    • Butyl oxalate
    • Ethanedioic acid, dibutyl ester
    • Butyl ethanedioate
    • Oxalic acid, dibutyl ester
    • dibutyl ethanedioate
    • Ethanedioic acid, 1,2-dibutyl ester
    • S18C168OWC
    • DTXSID7041916
    • NSC 8468
    • NSC-8468
    • EINECS 218-092-8
    • AI3-06011
    • DTXCID5021916
    • Oxalic acid, dibutyl ester (8CI)
    • Dinbutyl oxalate
    • RefChem:586527
    • DIBUTYL OXALATE [INCI]
    • Ethanedioic acid, 1,2dibutyl ester
    • 218-092-8
    • 833-458-2
    • InChI=1/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H
    • Oxalic Acid Dibutyl Ester
    • Dibutyl ester of oxalic acid
    • Oxalic acid di-n-butyl ester
    • MFCD00009442
    • dibutyl ethane-1,2-dioate
    • Dibutyloxalate
    • UNII-S18C168OWC
    • Dibutyl oxalate, 99%
    • Oxalic acid-dibutyl ester
    • SCHEMBL137155
    • CHEMBL3185643
    • NSC8468
    • CHEBI:169625
    • Tox21_301389
    • SBB060322
    • AKOS009031401
    • NCGC00255886-01
    • LS-13877
    • CAS-2050-60-4
    • DB-045250
    • NS00013568
    • O0077
    • ST50825486
    • A814618
    • F242827
    • Q27288438
    • 2050-60-4

  • Applications

    Dibutyl Oxalate is primarily used as a plasticizer for polymers such as nitrocellulose and other resin systems, Dibutyl Oxalate enhances flexibility and processability. It also serves as a solvent and processing aid in coatings, inks, and adhesive formulations. As an oxalate ester, it functions as an intermediate in the synthesis of other dialkyl oxalates and related compounds in industrial manufacturing. In fragrance and related formulations, it may be employed as a solvent or carrier, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 934.85
    methanol 1223.52
    isopropanol 605.43
    water 1.81
    ethyl acetate 1836.48
    n-propanol 777.48
    acetone 2750.45
    n-butanol 687.32
    acetonitrile 1768.13
    DMF 4767.45
    toluene 915.26
    isobutanol 564.22
    1,4-dioxane 1381.91
    methyl acetate 1853.56
    THF 2453.63
    2-butanone 2051.53
    n-pentanol 413.11
    sec-butanol 700.69
    n-hexane 94.36
    ethylene glycol 316.53
    NMP 7157.5
    cyclohexane 346.81
    DMSO 4885.96
    n-butyl acetate 1092.61
    n-octanol 226.34
    chloroform 5333.27
    n-propyl acetate 856.24
    acetic acid 2684.86
    dichloromethane 6344.03
    cyclohexanone 4019.37
    propylene glycol 384.71
    isopropyl acetate 942.08
    DMAc 3636.09
    2-ethoxyethanol 774.47
    isopentanol 569.09
    n-heptane 60.8
    ethyl formate 1413.65
    1,2-dichloroethane 5279.89
    n-hexanol 430.54
    2-methoxyethanol 1802.74
    isobutyl acetate 390.45
    tetrachloromethane 695.79
    n-pentyl acetate 703.88
    transcutol 2389.47
    n-heptanol 215.74
    ethylbenzene 383.79
    MIBK 742.29
    2-propoxyethanol 875.15
    tert-butanol 699.43
    MTBE 678.06
    2-butoxyethanol 534.6
    propionic acid 1636.85
    o-xylene 633.35
    formic acid 1074.11
    diethyl ether 715.75
    m-xylene 498.88
    p-xylene 534.02
    chlorobenzene 2624.02
    dimethyl carbonate 929.46
    n-octane 32.07
    formamide 2645.22
    cyclopentanone 4442.69
    2-pentanone 1574.32
    anisole 874.48
    cyclopentyl methyl ether 1303.58
    gamma-butyrolactone 5414.97
    1-methoxy-2-propanol 1099.68
    pyridine 3540.0
    3-pentanone 1444.04
    furfural 5258.19
    n-dodecane 20.6
    diethylene glycol 761.33
    diisopropyl ether 234.12
    tert-amyl alcohol 785.87
    acetylacetone 2468.67
    n-hexadecane 25.66
    acetophenone 1309.57
    methyl propionate 1803.44
    isopentyl acetate 965.15
    trichloroethylene 10926.56
    n-nonanol 199.76
    cyclohexanol 1187.26
    benzyl alcohol 847.69
    2-ethylhexanol 342.9
    isooctanol 186.17
    dipropyl ether 319.84
    1,2-dichlorobenzene 2757.78
    ethyl lactate 463.24
    propylene carbonate 2695.04
    n-methylformamide 2744.08
    2-pentanol 483.18
    n-pentane 97.53
    1-propoxy-2-propanol 632.39
    1-methoxy-2-propyl acetate 1066.72
    2-(2-methoxypropoxy) propanol 543.52
    mesitylene 328.26
    ε-caprolactone 3177.26
    p-cymene 263.46
    epichlorohydrin 5504.71
    1,1,1-trichloroethane 3619.25
    2-aminoethanol 554.56
    morpholine-4-carbaldehyde 3214.59
    sulfolane 6925.59
    2,2,4-trimethylpentane 67.29
    2-methyltetrahydrofuran 1973.58
    n-hexyl acetate 911.37
    isooctane 38.71
    2-(2-butoxyethoxy)ethanol 721.01
    sec-butyl acetate 550.69
    tert-butyl acetate 964.85
    decalin 141.49
    glycerin 559.98
    diglyme 1548.47
    acrylic acid 1897.37
    isopropyl myristate 250.0
    n-butyric acid 2133.7
    acetyl acetate 1520.09
    di(2-ethylhexyl) phthalate 288.27
    ethyl propionate 882.47
    nitromethane 5502.42
    1,2-diethoxyethane 743.11
    benzonitrile 1558.63
    trioctyl phosphate 196.82
    1-bromopropane 1750.12
    gamma-valerolactone 4781.43
    n-decanol 138.03
    triethyl phosphate 390.43
    4-methyl-2-pentanol 247.19
    propionitrile 1268.37
    vinylene carbonate 2589.91
    1,1,2-trichlorotrifluoroethane 3662.91
    DMS 1273.53
    cumene 251.71
    2-octanol 173.25
    2-hexanone 767.28
    octyl acetate 348.9
    limonene 455.09
    1,2-dimethoxyethane 1359.15
    ethyl orthosilicate 317.2
    tributyl phosphate 309.32
    diacetone alcohol 1168.92
    N,N-dimethylaniline 566.07
    acrylonitrile 2356.36
    aniline 1380.33
    1,3-propanediol 831.18
    bromobenzene 2792.1
    dibromomethane 3932.73
    1,1,2,2-tetrachloroethane 8048.28
    2-methyl-cyclohexyl acetate 589.12
    tetrabutyl urea 418.82
    diisobutyl methanol 211.47
    2-phenylethanol 722.47
    styrene 617.55
    dioctyl adipate 427.47
    dimethyl sulfate 1812.3
    ethyl butyrate 718.73
    methyl lactate 924.91
    butyl lactate 600.23
    diethyl carbonate 533.89
    propanediol butyl ether 551.69
    triethyl orthoformate 415.75
    p-tert-butyltoluene 242.9
    methyl 4-tert-butylbenzoate 700.93
    morpholine 2095.29
    tert-butylamine 448.67
    n-dodecanol 101.65
    dimethoxymethane 1425.97
    ethylene carbonate 1975.48
    cyrene 759.33
    2-ethoxyethyl acetate 972.87
    2-ethylhexyl acetate 764.09
    1,2,4-trichlorobenzene 3187.22
    4-methylpyridine 3096.54
    dibutyl ether 334.84
    2,6-dimethyl-4-heptanol 211.47
    DEF 2565.91
    dimethyl isosorbide 1204.46
    tetrachloroethylene 5047.48
    eugenol 672.5
    triacetin 863.32
    span 80 511.46
    1,4-butanediol 312.26
    1,1-dichloroethane 3423.68
    2-methyl-1-pentanol 435.85
    methyl formate 1924.12
    2-methyl-1-butanol 679.31
    n-decane 35.32
    butyronitrile 1082.07
    3,7-dimethyl-1-octanol 277.67
    1-chlorooctane 237.0
    1-chlorotetradecane 80.12
    n-nonane 35.33
    undecane 26.04
    tert-butylcyclohexane 81.34
    cyclooctane 98.23
    cyclopentanol 1266.32
    tetrahydropyran 1470.87
    tert-amyl methyl ether 644.33
    2,5,8-trioxanonane 888.88
    1-hexene 292.23
    2-isopropoxyethanol 462.76
    2,2,2-trifluoroethanol 1108.5
    methyl butyrate 1371.93

    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