Diisopropyl oxalate

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  • Identifiers

    CAS number
    615-81-6

    Molecular formula
    C8H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.76%
    Winey 40.97%
    Caramellic 38.44%
    Apple 37.61%
    Herbal 36.22%
    Sweet 33.23%
    Ethereal 33.01%
    Buttery 30.75%
    Berry 26.15%
    Fermented 25.37%

     

    Flavor
    Fruity 84.11%
    Sweet 36.49%
    Berry 29.14%
    Creamy 28.55%
    Grape 28.01%
    Tropical 27.39%
    Fruit 25.52%
    Buttery 23.56%
    Bitter 22.73%
    Dried berry 21.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.65 (weak acid)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 65.87 ˚C est.

  • Synonyms

    • Diisopropyl oxalate
    • 615-81-6
    • Ethanedioic acid, bis(1-methylethyl) ester
    • AI3-11244
    • EINECS 210-448-0
    • DTXSID70210477
    • NSC 4877
    • RefChem:134070
    • DTXCID70132968
    • 210-448-0
    • InChI=1/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H
    • dipropan-2-yl oxalate
    • diisopropyloxalate
    • NSC-4877
    • OXALIC ACID DIISOPROPYL ESTER
    • isopropyl oxalate
    • Di(propan-2-yl) ethanedioate
    • SCHEMBL297916
    • 2C979BWD6T
    • NSC4877
    • AKOS025296041
    • DB-254481
    • NS00013588
    • F97362
    • Ethanedioic acid, 1,2-bis(1-methylethyl) ester
    • Q65224962
    • Z104475822
    • 615-81-6

  • Applications

    Diisopropyl oxalate, CAS 615-81-6, is used primarily as an intermediate in organic synthesis and as a building block for preparing other oxalate esters. It is also commonly employed as a plasticizer for PVC and several polymers, imparting flexibility to materials. In coatings, inks, and adhesives, it can function as a solvent or processing aid to dissolve or disperse formulation components. Additionally, it may serve as a precursor for the production of specialty oxalate esters used in pharmaceutical and agrochemical synthesis. In some processing systems, it may act as a solvent or processing diluent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.49
    methanol 221.99
    isopropanol 131.93
    water 2.93
    ethyl acetate 74.31
    n-propanol 127.53
    acetone 169.09
    n-butanol 120.02
    acetonitrile 76.19
    DMF 415.24
    toluene 75.34
    isobutanol 90.33
    1,4-dioxane 253.28
    methyl acetate 107.17
    THF 356.21
    2-butanone 113.69
    n-pentanol 79.52
    sec-butanol 115.26
    n-hexane 30.09
    ethylene glycol 70.37
    NMP 434.95
    cyclohexane 75.62
    DMSO 241.3
    n-butyl acetate 88.37
    n-octanol 61.9
    chloroform 333.35
    n-propyl acetate 52.48
    acetic acid 220.06
    dichloromethane 242.87
    cyclohexanone 218.62
    propylene glycol 73.8
    isopropyl acetate 55.98
    DMAc 335.25
    2-ethoxyethanol 111.32
    isopentanol 89.56
    n-heptane 20.43
    ethyl formate 99.88
    1,2-dichloroethane 194.04
    n-hexanol 106.1
    2-methoxyethanol 237.87
    isobutyl acetate 37.16
    tetrachloromethane 69.51
    n-pentyl acetate 60.54
    transcutol 180.83
    n-heptanol 52.89
    ethylbenzene 55.08
    MIBK 54.77
    2-propoxyethanol 158.65
    tert-butanol 140.65
    MTBE 91.18
    2-butoxyethanol 85.81
    propionic acid 108.3
    o-xylene 68.78
    formic acid 118.48
    diethyl ether 83.33
    m-xylene 52.36
    p-xylene 68.92
    chlorobenzene 122.8
    dimethyl carbonate 52.16
    n-octane 12.89
    formamide 126.3
    cyclopentanone 238.36
    2-pentanone 82.18
    anisole 78.21
    cyclopentyl methyl ether 122.88
    gamma-butyrolactone 255.12
    1-methoxy-2-propanol 150.86
    pyridine 209.09
    3-pentanone 71.99
    furfural 289.5
    n-dodecane 11.49
    diethylene glycol 151.32
    diisopropyl ether 28.13
    tert-amyl alcohol 119.85
    acetylacetone 108.14
    n-hexadecane 12.57
    acetophenone 84.58
    methyl propionate 79.33
    isopentyl acetate 82.19
    trichloroethylene 315.2
    n-nonanol 58.69
    cyclohexanol 155.06
    benzyl alcohol 83.28
    2-ethylhexanol 65.78
    isooctanol 39.91
    dipropyl ether 55.29
    1,2-dichlorobenzene 116.55
    ethyl lactate 49.25
    propylene carbonate 163.18
    n-methylformamide 167.92
    2-pentanol 73.62
    n-pentane 29.0
    1-propoxy-2-propanol 105.26
    1-methoxy-2-propyl acetate 87.65
    2-(2-methoxypropoxy) propanol 98.68
    mesitylene 39.23
    ε-caprolactone 181.36
    p-cymene 42.99
    epichlorohydrin 249.02
    1,1,1-trichloroethane 156.45
    2-aminoethanol 92.5
    morpholine-4-carbaldehyde 297.97
    sulfolane 314.1
    2,2,4-trimethylpentane 16.71
    2-methyltetrahydrofuran 193.89
    n-hexyl acetate 91.8
    isooctane 10.14
    2-(2-butoxyethoxy)ethanol 116.45
    sec-butyl acetate 38.81
    tert-butyl acetate 70.33
    decalin 31.95
    glycerin 102.14
    diglyme 173.98
    acrylic acid 119.28
    isopropyl myristate 42.73
    n-butyric acid 128.84
    acetyl acetate 68.97
    di(2-ethylhexyl) phthalate 54.79
    ethyl propionate 53.68
    nitromethane 212.14
    1,2-diethoxyethane 77.1
    benzonitrile 93.53
    trioctyl phosphate 39.99
    1-bromopropane 109.14
    gamma-valerolactone 294.57
    n-decanol 45.21
    triethyl phosphate 49.73
    4-methyl-2-pentanol 43.8
    propionitrile 74.15
    vinylene carbonate 154.93
    1,1,2-trichlorotrifluoroethane 219.94
    DMS 86.51
    cumene 39.88
    2-octanol 42.06
    2-hexanone 56.79
    octyl acetate 56.71
    limonene 60.07
    1,2-dimethoxyethane 194.61
    ethyl orthosilicate 48.76
    tributyl phosphate 47.36
    diacetone alcohol 96.53
    N,N-dimethylaniline 78.1
    acrylonitrile 96.28
    aniline 101.58
    1,3-propanediol 143.97
    bromobenzene 113.76
    dibromomethane 184.1
    1,1,2,2-tetrachloroethane 313.82
    2-methyl-cyclohexyl acetate 70.75
    tetrabutyl urea 71.05
    diisobutyl methanol 42.29
    2-phenylethanol 93.0
    styrene 62.35
    dioctyl adipate 60.93
    dimethyl sulfate 91.28
    ethyl butyrate 61.63
    methyl lactate 67.45
    butyl lactate 63.86
    diethyl carbonate 52.52
    propanediol butyl ether 94.0
    triethyl orthoformate 57.35
    p-tert-butyltoluene 43.55
    methyl 4-tert-butylbenzoate 86.44
    morpholine 278.23
    tert-butylamine 97.79
    n-dodecanol 36.49
    dimethoxymethane 163.58
    ethylene carbonate 129.97
    cyrene 102.06
    2-ethoxyethyl acetate 69.95
    2-ethylhexyl acetate 67.78
    1,2,4-trichlorobenzene 138.56
    4-methylpyridine 176.37
    dibutyl ether 52.18
    2,6-dimethyl-4-heptanol 42.29
    DEF 140.81
    dimethyl isosorbide 165.4
    tetrachloroethylene 241.18
    eugenol 94.12
    triacetin 77.2
    span 80 100.34
    1,4-butanediol 63.7
    1,1-dichloroethane 156.09
    2-methyl-1-pentanol 68.86
    methyl formate 141.95
    2-methyl-1-butanol 87.43
    n-decane 16.87
    butyronitrile 80.15
    3,7-dimethyl-1-octanol 58.07
    1-chlorooctane 45.43
    1-chlorotetradecane 24.41
    n-nonane 16.52
    undecane 13.55
    tert-butylcyclohexane 23.33
    cyclooctane 24.34
    cyclopentanol 166.04
    tetrahydropyran 212.21
    tert-amyl methyl ether 82.09
    2,5,8-trioxanonane 141.98
    1-hexene 57.37
    2-isopropoxyethanol 70.85
    2,2,2-trifluoroethanol 92.82
    methyl butyrate 79.25

    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