Mono-n-butyl maleate

  • Identifiers

    Molecular formula
    C8H11O4-

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

  • Odor profile

    Fragrance
    Fruity 78.49%
    Caramellic 62.85%
    Winey 60.67%
    Sweet 58.36%
    Herbal 40.91%
    Green 33.71%
    Apple 33.25%
    Sour 33.16%
    Buttery 31.87%
    Fatty 29.98%

     

    Flavor
    Fruity 44.3%
    Caramel 28.08%
    Odorless 26.96%
    Sour 23.29%
    Very mild 23.27%
    Buttery 22.06%
    Broccoli 20.57%
    Toffee 20.04%
    Extremely sweet 19.91%
    Roquefort cheese 19.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    3.9 (weak acid)

    Molecular weight
    171.17 g/mol

    Flash point

    • 107.14 ˚C est.

  • Synonyms

    • Mono-n-butyl maleate
    • UTOVMEACOLCUCK-PLNGDYQASA-M
  • Applications

    Mono-n-butyl maleate is a monoester of maleic acid with n-butanol, bearing a free carboxyl group and the n-butyl ester moiety. In industry, it is commonly used as a reactive monomer and intermediate in polymer and coating formulations: it copolymerizes with vinyl or acrylic monomers to tailor elasticity and glass transition temperature; it can act as a plasticizer for certain vinyl and acrylic resins; it serves as a precursor for the synthesis of polyesters, polyurethanes and other specialty polymers via esterification and polymerization; it is used in adhesives and coatings as a reactive diluent or functional monomer, enabling post polymerization modification; it may be considered as a precursor to functional or crosslinkable polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 423.05
    methanol 759.3
    isopropanol 174.96
    water 0.67
    ethyl acetate 296.97
    n-propanol 195.36
    acetone 492.09
    n-butanol 149.78
    acetonitrile 326.39
    DMF 1711.96
    toluene 57.98
    isobutanol 110.76
    1,4-dioxane 220.78
    methyl acetate 391.69
    THF 420.44
    2-butanone 388.65
    n-pentanol 123.52
    sec-butanol 157.0
    n-hexane 3.2
    ethylene glycol 71.83
    NMP 982.24
    cyclohexane 2.86
    DMSO 1648.35
    n-butyl acetate 168.41
    n-octanol 26.65
    chloroform 137.82
    n-propyl acetate 170.9
    acetic acid 358.11
    dichloromethane 268.43
    cyclohexanone 257.68
    propylene glycol 73.59
    isopropyl acetate 146.98
    DMAc 1405.58
    2-ethoxyethanol 387.44
    isopentanol 143.14
    n-heptane 1.42
    ethyl formate 168.83
    1,2-dichloroethane 263.93
    n-hexanol 71.52
    2-methoxyethanol 664.86
    isobutyl acetate 81.18
    tetrachloromethane 12.21
    n-pentyl acetate 58.63
    transcutol 863.95
    n-heptanol 23.9
    ethylbenzene 47.18
    MIBK 120.55
    2-propoxyethanol 235.35
    tert-butanol 233.75
    MTBE 164.28
    2-butoxyethanol 92.24
    propionic acid 180.46
    o-xylene 53.99
    formic acid 230.5
    diethyl ether 137.78
    m-xylene 46.49
    p-xylene 59.26
    chlorobenzene 85.22
    dimethyl carbonate 121.99
    n-octane 0.88
    formamide 578.56
    cyclopentanone 424.73
    2-pentanone 230.26
    anisole 175.42
    cyclopentyl methyl ether 159.86
    gamma-butyrolactone 552.48
    1-methoxy-2-propanol 381.69
    pyridine 290.31
    3-pentanone 156.55
    furfural 487.85
    n-dodecane 1.11
    diethylene glycol 221.82
    diisopropyl ether 28.21
    tert-amyl alcohol 227.08
    acetylacetone 318.0
    n-hexadecane 1.28
    acetophenone 194.2
    methyl propionate 273.76
    isopentyl acetate 147.59
    trichloroethylene 401.68
    n-nonanol 25.17
    cyclohexanol 74.49
    benzyl alcohol 159.83
    2-ethylhexanol 41.21
    isooctanol 21.97
    dipropyl ether 35.08
    1,2-dichlorobenzene 89.87
    ethyl lactate 82.36
    propylene carbonate 219.89
    n-methylformamide 610.18
    2-pentanol 87.77
    n-pentane 2.53
    1-propoxy-2-propanol 138.6
    1-methoxy-2-propyl acetate 187.51
    2-(2-methoxypropoxy) propanol 166.29
    mesitylene 24.15
    ε-caprolactone 271.65
    p-cymene 22.27
    epichlorohydrin 628.18
    1,1,1-trichloroethane 106.46
    2-aminoethanol 165.38
    morpholine-4-carbaldehyde 632.71
    sulfolane 752.28
    2,2,4-trimethylpentane 3.44
    2-methyltetrahydrofuran 311.5
    n-hexyl acetate 87.51
    isooctane 2.0
    2-(2-butoxyethoxy)ethanol 205.87
    sec-butyl acetate 113.84
    tert-butyl acetate 174.27
    decalin 5.2
    glycerin 120.75
    diglyme 393.18
    acrylic acid 175.68
    isopropyl myristate 30.73
    n-butyric acid 203.77
    acetyl acetate 153.31
    di(2-ethylhexyl) phthalate 46.0
    ethyl propionate 143.94
    nitromethane 1001.29
    1,2-diethoxyethane 159.93
    benzonitrile 149.18
    trioctyl phosphate 24.91
    1-bromopropane 96.71
    gamma-valerolactone 561.18
    n-decanol 19.01
    triethyl phosphate 55.86
    4-methyl-2-pentanol 49.65
    propionitrile 179.44
    vinylene carbonate 184.67
    1,1,2-trichlorotrifluoroethane 330.75
    DMS 132.66
    cumene 31.86
    2-octanol 17.32
    2-hexanone 163.58
    octyl acetate 41.82
    limonene 29.67
    1,2-dimethoxyethane 487.7
    ethyl orthosilicate 48.56
    tributyl phosphate 42.74
    diacetone alcohol 267.23
    N,N-dimethylaniline 130.95
    acrylonitrile 301.22
    aniline 123.8
    1,3-propanediol 217.49
    bromobenzene 78.26
    dibromomethane 142.1
    1,1,2,2-tetrachloroethane 291.51
    2-methyl-cyclohexyl acetate 86.59
    tetrabutyl urea 62.56
    diisobutyl methanol 24.32
    2-phenylethanol 106.18
    styrene 69.64
    dioctyl adipate 69.45
    dimethyl sulfate 288.99
    ethyl butyrate 98.71
    methyl lactate 142.21
    butyl lactate 64.94
    diethyl carbonate 72.33
    propanediol butyl ether 107.29
    triethyl orthoformate 59.5
    p-tert-butyltoluene 20.55
    methyl 4-tert-butylbenzoate 110.96
    morpholine 365.73
    tert-butylamine 95.1
    n-dodecanol 14.28
    dimethoxymethane 398.54
    ethylene carbonate 133.16
    cyrene 172.46
    2-ethoxyethyl acetate 137.01
    2-ethylhexyl acetate 100.88
    1,2,4-trichlorobenzene 136.73
    4-methylpyridine 361.68
    dibutyl ether 36.24
    2,6-dimethyl-4-heptanol 24.32
    DEF 405.21
    dimethyl isosorbide 275.75
    tetrachloroethylene 143.86
    eugenol 118.75
    triacetin 128.34
    span 80 97.13
    1,4-butanediol 89.02
    1,1-dichloroethane 149.44
    2-methyl-1-pentanol 136.75
    methyl formate 334.95
    2-methyl-1-butanol 137.46
    n-decane 1.61
    butyronitrile 148.42
    3,7-dimethyl-1-octanol 39.67
    1-chlorooctane 12.32
    1-chlorotetradecane 5.84
    n-nonane 1.36
    undecane 1.31
    tert-butylcyclohexane 4.99
    cyclooctane 1.26
    cyclopentanol 101.4
    tetrahydropyran 145.79
    tert-amyl methyl ether 156.28
    2,5,8-trioxanonane 291.52
    1-hexene 30.21
    2-isopropoxyethanol 219.08
    2,2,2-trifluoroethanol 111.98
    methyl butyrate 221.21

    Scent© AI

1 of 4
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