Butanedioic acid, 1-(2-methylpropyl) ester

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  • Identifiers

    CAS number
    20279-40-7

    Molecular formula
    C8H14O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.33%
    Sour 52.91%
    Winey 47.14%
    Fatty 41.81%
    Buttery 40.0%
    Cheesy 39.83%
    Caramellic 37.8%
    Creamy 32.28%
    Fermented 29.99%
    Dairy 29.5%

     

    Flavor
    Fruity 58.51%
    Sweet 38.85%
    Cheese 38.08%
    Sour 35.47%
    Odorless 30.64%
    Butter 27.29%
    Creamy 26.74%
    Berry 26.22%
    Sharp 26.14%
    Strawberry 26.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.13 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    274°C

    Flash point

    • 127.65 ˚C est.

  • Synonyms

    • Isobutyl succinate
    • 20279-40-7
    • Butanedioic acid, mono(2-methylpropyl) ester
    • Butanedioic acid, 1-(2-methylpropyl) ester
    • DTXSID90885126
    • RefChem:570800
    • DTXCID501024525
    • 4-(2-methylpropoxy)-4-oxobutanoic acid
    • SCHEMBL846984
    • RGTLSFNPTLNPDZ-UHFFFAOYSA-N
    • 20279-40-7

  • Applications

    Butanedioic acid, 1-(2-methylpropyl) ester (CAS 20279-40-7) is a diester of succinic acid with two isobutyl groups. In industry it is primarily used as a plasticizer for PVC and other polymers, improving flexibility and processability. It is also employed as a processing aid and solvent in coatings, inks, and adhesive formulations, helping dissolve resins and adjust rheology. As an intermediate in organic synthesis, it can serve as a building block for specialty esters and fine chemicals. It may be used as a lubricant additive or processing aid in metalworking or polymer processing, depending on formulation. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 546.66
    methanol 737.7
    isopropanol 419.9
    water 16.89
    ethyl acetate 93.84
    n-propanol 303.92
    acetone 304.4
    n-butanol 263.76
    acetonitrile 134.63
    DMF 703.58
    toluene 18.71
    isobutanol 209.21
    1,4-dioxane 225.59
    methyl acetate 146.31
    THF 332.97
    2-butanone 168.02
    n-pentanol 189.73
    sec-butanol 276.41
    n-hexane 6.18
    ethylene glycol 170.3
    NMP 297.83
    cyclohexane 3.38
    DMSO 599.79
    n-butyl acetate 95.33
    n-octanol 68.6
    chloroform 74.02
    n-propyl acetate 82.6
    acetic acid 335.16
    dichloromethane 83.03
    cyclohexanone 149.09
    propylene glycol 230.42
    isopropyl acetate 75.72
    DMAc 605.7
    2-ethoxyethanol 377.3
    isopentanol 245.47
    n-heptane 2.64
    ethyl formate 159.82
    1,2-dichloroethane 68.7
    n-hexanol 120.27
    2-methoxyethanol 587.92
    isobutyl acetate 58.8
    tetrachloromethane 11.15
    n-pentyl acetate 51.74
    transcutol 402.65
    n-heptanol 57.05
    ethylbenzene 26.11
    MIBK 95.13
    2-propoxyethanol 228.37
    tert-butanol 537.34
    MTBE 197.4
    2-butoxyethanol 134.61
    propionic acid 163.58
    o-xylene 24.72
    formic acid 288.02
    diethyl ether 81.62
    m-xylene 22.34
    p-xylene 37.57
    chlorobenzene 27.46
    dimethyl carbonate 47.92
    n-octane 2.57
    formamide 310.84
    cyclopentanone 187.42
    2-pentanone 122.42
    anisole 95.78
    cyclopentyl methyl ether 83.29
    gamma-butyrolactone 224.63
    1-methoxy-2-propanol 375.86
    pyridine 95.33
    3-pentanone 59.21
    furfural 246.81
    n-dodecane 2.96
    diethylene glycol 249.41
    diisopropyl ether 22.45
    tert-amyl alcohol 378.85
    acetylacetone 148.95
    n-hexadecane 3.09
    acetophenone 96.76
    methyl propionate 81.88
    isopentyl acetate 107.87
    trichloroethylene 105.53
    n-nonanol 57.57
    cyclohexanol 106.29
    benzyl alcohol 118.81
    2-ethylhexanol 63.74
    isooctanol 50.46
    dipropyl ether 31.63
    1,2-dichlorobenzene 32.22
    ethyl lactate 72.19
    propylene carbonate 151.63
    n-methylformamide 309.03
    2-pentanol 144.19
    n-pentane 4.38
    1-propoxy-2-propanol 153.26
    1-methoxy-2-propyl acetate 109.4
    2-(2-methoxypropoxy) propanol 145.46
    mesitylene 16.11
    ε-caprolactone 152.28
    p-cymene 17.85
    epichlorohydrin 221.39
    1,1,1-trichloroethane 45.82
    2-aminoethanol 311.62
    morpholine-4-carbaldehyde 362.15
    sulfolane 271.28
    2,2,4-trimethylpentane 5.35
    2-methyltetrahydrofuran 200.96
    n-hexyl acetate 81.35
    isooctane 3.52
    2-(2-butoxyethoxy)ethanol 190.53
    sec-butyl acetate 63.03
    tert-butyl acetate 107.49
    decalin 5.81
    glycerin 254.7
    diglyme 292.76
    acrylic acid 139.35
    isopropyl myristate 33.88
    n-butyric acid 198.21
    acetyl acetate 65.02
    di(2-ethylhexyl) phthalate 49.18
    ethyl propionate 63.09
    nitromethane 346.28
    1,2-diethoxyethane 97.97
    benzonitrile 83.32
    trioctyl phosphate 34.85
    1-bromopropane 37.89
    gamma-valerolactone 316.77
    n-decanol 42.44
    triethyl phosphate 41.43
    4-methyl-2-pentanol 86.19
    propionitrile 94.58
    vinylene carbonate 128.43
    1,1,2-trichlorotrifluoroethane 202.35
    DMS 59.5
    cumene 25.24
    2-octanol 43.85
    2-hexanone 103.68
    octyl acetate 45.44
    limonene 23.19
    1,2-dimethoxyethane 451.72
    ethyl orthosilicate 39.57
    tributyl phosphate 42.9
    diacetone alcohol 211.07
    N,N-dimethylaniline 81.74
    acrylonitrile 117.05
    aniline 58.32
    1,3-propanediol 373.47
    bromobenzene 21.64
    dibromomethane 50.66
    1,1,2,2-tetrachloroethane 105.18
    2-methyl-cyclohexyl acetate 64.76
    tetrabutyl urea 59.22
    diisobutyl methanol 40.1
    2-phenylethanol 86.2
    styrene 27.92
    dioctyl adipate 57.84
    dimethyl sulfate 97.01
    ethyl butyrate 65.55
    methyl lactate 92.84
    butyl lactate 68.18
    diethyl carbonate 48.57
    propanediol butyl ether 169.12
    triethyl orthoformate 49.41
    p-tert-butyltoluene 18.86
    methyl 4-tert-butylbenzoate 90.01
    morpholine 307.62
    tert-butylamine 236.52
    n-dodecanol 31.82
    dimethoxymethane 220.48
    ethylene carbonate 103.43
    cyrene 147.37
    2-ethoxyethyl acetate 76.59
    2-ethylhexyl acetate 67.51
    1,2,4-trichlorobenzene 43.49
    4-methylpyridine 129.48
    dibutyl ether 43.25
    2,6-dimethyl-4-heptanol 40.1
    DEF 160.31
    dimethyl isosorbide 191.41
    tetrachloroethylene 60.21
    eugenol 103.81
    triacetin 82.04
    span 80 106.83
    1,4-butanediol 200.65
    1,1-dichloroethane 58.17
    2-methyl-1-pentanol 185.57
    methyl formate 217.63
    2-methyl-1-butanol 207.31
    n-decane 4.33
    butyronitrile 124.9
    3,7-dimethyl-1-octanol 73.21
    1-chlorooctane 20.17
    1-chlorotetradecane 9.48
    n-nonane 3.96
    undecane 3.47
    tert-butylcyclohexane 7.24
    cyclooctane 1.75
    cyclopentanol 143.48
    tetrahydropyran 125.13
    tert-amyl methyl ether 134.07
    2,5,8-trioxanonane 221.45
    1-hexene 30.75
    2-isopropoxyethanol 220.46
    2,2,2-trifluoroethanol 119.05
    methyl butyrate 116.24

    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