Di-sec-butyl oxalate

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  • Identifiers

    CAS number
    13784-89-9

    Molecular formula
    C10H18O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 72.59%
    Herbal 47.74%
    Winey 38.98%
    Caramellic 35.46%
    Sweet 33.68%
    Floral 33.1%
    Apple 32.19%
    Chamomile 26.43%
    Mint 25.01%
    Buttery 24.43%

     

    Flavor
    Fruity 76.51%
    Green 31.8%
    Sweet 30.94%
    Berry 30.47%
    Tropical 27.5%
    Creamy 25.56%
    Fruit 24.17%
    Grape 21.37%
    Dried berry 21.13%
    Oily 20.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.71 (weak acid)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 86.2 ˚C est.

  • Synonyms

    • Di-sec-butyl oxalate
    • 13784-89-9
    • dibutan-2-yl oxalate
    • Bis(1-methylpropyl) oxalate
    • Oxalic acid, di-sec-butyl ester
    • Ethanedioic acid, bis(1-methylpropyl) ester
    • 15X1431GSK
    • Ethanedioic acid, 1,2-bis(1-methylpropyl) ester
    • UNII-15X1431GSK
    • di-s-butyl oxalate
    • EINECS 237-442-0
    • Dibutan-2-yl ethanedioate
    • Di(butan-2-yl) ethanedioate
    • SCHEMBL10456507
    • DTXSID40864441
    • NS00013586
    • Q27251750
    • 13784-89-9

  • Applications

    Di-sec-butyl oxalate is used in the fragrance industry as a fragrance fixative and solvent in perfume formulations, helping to extend and stabilize aroma. In the plastics and coatings sector, it often serves as a plasticizer or processing aid for polymers such as PVC and nitrocellulose-based coatings, improving flexibility and film properties. In coatings and inks, it can function as a solvent or additive to aid processing and performance. In cosmetics and personal care, it may be used as a fragrance component or fixative within formulations. In general industrial manufacturing, it can act as an organic synthesis intermediate for the preparation of other compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.54
    methanol 364.39
    isopropanol 231.01
    water 1.27
    ethyl acetate 333.18
    n-propanol 237.2
    acetone 559.29
    n-butanol 236.28
    acetonitrile 271.54
    DMF 956.31
    toluene 265.81
    isobutanol 187.52
    1,4-dioxane 601.67
    methyl acetate 408.23
    THF 771.62
    2-butanone 421.35
    n-pentanol 161.48
    sec-butanol 235.42
    n-hexane 42.6
    ethylene glycol 90.27
    NMP 1120.42
    cyclohexane 136.17
    DMSO 653.71
    n-butyl acetate 319.34
    n-octanol 108.04
    chloroform 945.33
    n-propyl acetate 176.57
    acetic acid 513.27
    dichloromethane 907.61
    cyclohexanone 776.36
    propylene glycol 107.5
    isopropyl acetate 235.31
    DMAc 838.07
    2-ethoxyethanol 242.97
    isopentanol 224.15
    n-heptane 28.15
    ethyl formate 275.16
    1,2-dichloroethane 793.37
    n-hexanol 205.93
    2-methoxyethanol 452.85
    isobutyl acetate 121.42
    tetrachloromethane 174.81
    n-pentyl acetate 195.32
    transcutol 594.74
    n-heptanol 106.31
    ethylbenzene 153.08
    MIBK 201.27
    2-propoxyethanol 342.36
    tert-butanol 340.12
    MTBE 319.42
    2-butoxyethanol 211.21
    propionic acid 272.26
    o-xylene 214.61
    formic acid 209.3
    diethyl ether 241.85
    m-xylene 178.89
    p-xylene 210.36
    chlorobenzene 473.86
    dimethyl carbonate 171.44
    n-octane 19.17
    formamide 333.32
    cyclopentanone 787.38
    2-pentanone 306.67
    anisole 238.6
    cyclopentyl methyl ether 339.54
    gamma-butyrolactone 856.98
    1-methoxy-2-propanol 324.24
    pyridine 698.75
    3-pentanone 281.86
    furfural 819.91
    n-dodecane 15.4
    diethylene glycol 291.25
    diisopropyl ether 94.94
    tert-amyl alcohol 309.69
    acetylacetone 435.01
    n-hexadecane 17.88
    acetophenone 278.55
    methyl propionate 302.18
    isopentyl acetate 318.34
    trichloroethylene 1377.67
    n-nonanol 100.81
    cyclohexanol 323.5
    benzyl alcohol 224.19
    2-ethylhexanol 146.16
    isooctanol 90.23
    dipropyl ether 117.87
    1,2-dichlorobenzene 445.24
    ethyl lactate 114.62
    propylene carbonate 519.69
    n-methylformamide 398.19
    2-pentanol 170.58
    n-pentane 41.91
    1-propoxy-2-propanol 231.38
    1-methoxy-2-propyl acetate 299.12
    2-(2-methoxypropoxy) propanol 212.69
    mesitylene 127.18
    ε-caprolactone 647.88
    p-cymene 108.55
    epichlorohydrin 914.54
    1,1,1-trichloroethane 599.81
    2-aminoethanol 142.61
    morpholine-4-carbaldehyde 761.8
    sulfolane 960.31
    2,2,4-trimethylpentane 33.46
    2-methyltetrahydrofuran 571.02
    n-hexyl acetate 263.63
    isooctane 21.49
    2-(2-butoxyethoxy)ethanol 279.4
    sec-butyl acetate 144.81
    tert-butyl acetate 273.23
    decalin 63.25
    glycerin 147.43
    diglyme 482.67
    acrylic acid 269.0
    isopropyl myristate 104.12
    n-butyric acid 370.67
    acetyl acetate 289.16
    di(2-ethylhexyl) phthalate 120.2
    ethyl propionate 185.06
    nitromethane 748.34
    1,2-diethoxyethane 250.85
    benzonitrile 287.42
    trioctyl phosphate 85.88
    1-bromopropane 364.52
    gamma-valerolactone 940.42
    n-decanol 76.18
    triethyl phosphate 116.4
    4-methyl-2-pentanol 107.24
    propionitrile 236.71
    vinylene carbonate 465.45
    1,1,2-trichlorotrifluoroethane 594.86
    DMS 281.33
    cumene 112.45
    2-octanol 84.63
    2-hexanone 185.52
    octyl acetate 137.06
    limonene 161.24
    1,2-dimethoxyethane 472.48
    ethyl orthosilicate 112.01
    tributyl phosphate 112.18
    diacetone alcohol 311.28
    N,N-dimethylaniline 202.08
    acrylonitrile 326.46
    aniline 299.06
    1,3-propanediol 242.57
    bromobenzene 493.26
    dibromomethane 644.08
    1,1,2,2-tetrachloroethane 1181.17
    2-methyl-cyclohexyl acetate 196.95
    tetrabutyl urea 158.11
    diisobutyl methanol 101.13
    2-phenylethanol 255.03
    styrene 187.01
    dioctyl adipate 152.05
    dimethyl sulfate 282.49
    ethyl butyrate 184.9
    methyl lactate 186.36
    butyl lactate 164.33
    diethyl carbonate 149.22
    propanediol butyl ether 176.67
    triethyl orthoformate 146.92
    p-tert-butyltoluene 108.23
    methyl 4-tert-butylbenzoate 226.59
    morpholine 642.73
    tert-butylamine 217.17
    n-dodecanol 60.78
    dimethoxymethane 376.8
    ethylene carbonate 402.43
    cyrene 226.39
    2-ethoxyethyl acetate 243.96
    2-ethylhexyl acetate 253.11
    1,2,4-trichlorobenzene 515.19
    4-methylpyridine 625.83
    dibutyl ether 123.39
    2,6-dimethyl-4-heptanol 101.13
    DEF 474.27
    dimethyl isosorbide 409.01
    tetrachloroethylene 828.81
    eugenol 239.05
    triacetin 212.88
    span 80 204.43
    1,4-butanediol 109.0
    1,1-dichloroethane 611.69
    2-methyl-1-pentanol 179.37
    methyl formate 345.19
    2-methyl-1-butanol 212.34
    n-decane 23.05
    butyronitrile 221.07
    3,7-dimethyl-1-octanol 129.69
    1-chlorooctane 94.53
    1-chlorotetradecane 42.98
    n-nonane 21.88
    undecane 18.43
    tert-butylcyclohexane 45.77
    cyclooctane 42.88
    cyclopentanol 328.81
    tetrahydropyran 531.26
    tert-amyl methyl ether 242.3
    2,5,8-trioxanonane 360.11
    1-hexene 113.67
    2-isopropoxyethanol 173.21
    2,2,2-trifluoroethanol 205.89
    methyl butyrate 264.13

    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