Butanedioic acid, 1-butyl ester

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  • Identifiers

    CAS number
    5150-93-6

    Molecular formula
    C8H14O4

    SMILES
    CCCCOC(=O)CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 79.01%
    Winey 55.51%
    Sour 52.27%
    Fatty 51.24%
    Caramellic 51.19%
    Buttery 43.68%
    Cheesy 43.46%
    Oily 35.8%
    Creamy 35.78%
    Fermented 34.75%

     

    Flavor
    Fruity 58.01%
    Cheese 42.56%
    Sweet 40.14%
    Sour 35.15%
    Fatty 34.71%
    Creamy 31.85%
    Buttery 31.48%
    Butter 31.11%
    Pineapple 30.69%
    Fruit 30.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.87 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point

    • 131.16 ˚C est.

  • Synonyms

    • 5150-93-6
    • Monobutyl succinate
    • Succinic acid, butyl ester
    • Succinic acid, monobutyl ester
    • Butanedioic acid, 1-butyl ester
    • BRN 1773450
    • DTXSID80871114
    • 3-02-00-01665 (Beilstein Handbook Reference)
    • RefChem:570802
    • DTXCID80818786
    • 610-675-9
    • 4-butoxy-4-oxobutanoic acid
    • Butanedioic acid, monobutyl ester
    • Succinic acid monobutyl ester
    • Butyl succinate
    • MONO-BUTYLSUCCINATE
    • Bernsteinsaure-n-butylester
    • 4-butoxy-4-oxobutanoicacid
    • SCHEMBL459010
    • MFCD00462689
    • AKOS006272794
    • DB-205973
    • 5150-93-6

  • Applications

    Butanedioic acid, 1-butyl ester (CAS 5150-93-6) is primarily used as an intermediate in organic synthesis and as a solvent or co-solvent in coatings, inks, and cleaners; it may serve as a plasticizer component in polymer formulations (notably PVC) and as a processing aid or lubricant additive in plastics, adhesives, and coatings; it can be encountered in cosmetics/personal care formulations as a solvent or emollient, subject to formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 791.28
    methanol 1332.05
    isopropanol 520.26
    water 11.56
    ethyl acetate 188.94
    n-propanol 416.95
    acetone 529.66
    n-butanol 334.27
    acetonitrile 300.11
    DMF 1893.62
    toluene 30.38
    isobutanol 266.66
    1,4-dioxane 430.63
    methyl acetate 250.74
    THF 549.41
    2-butanone 269.2
    n-pentanol 235.51
    sec-butanol 343.31
    n-hexane 7.48
    ethylene glycol 195.67
    NMP 743.95
    cyclohexane 5.84
    DMSO 1731.13
    n-butyl acetate 132.21
    n-octanol 57.66
    chloroform 105.51
    n-propyl acetate 135.87
    acetic acid 662.7
    dichloromethane 158.35
    cyclohexanone 264.81
    propylene glycol 208.53
    isopropyl acetate 120.85
    DMAc 1350.94
    2-ethoxyethanol 591.66
    isopentanol 298.54
    n-heptane 2.63
    ethyl formate 240.35
    1,2-dichloroethane 146.97
    n-hexanol 114.8
    2-methoxyethanol 986.87
    isobutyl acetate 83.87
    tetrachloromethane 14.86
    n-pentyl acetate 66.44
    transcutol 844.0
    n-heptanol 48.24
    ethylbenzene 37.11
    MIBK 128.14
    2-propoxyethanol 276.88
    tert-butanol 662.74
    MTBE 247.02
    2-butoxyethanol 149.42
    propionic acid 271.94
    o-xylene 40.83
    formic acid 516.74
    diethyl ether 144.0
    m-xylene 33.74
    p-xylene 54.22
    chlorobenzene 49.83
    dimethyl carbonate 91.9
    n-octane 2.01
    formamide 761.37
    cyclopentanone 361.48
    2-pentanone 193.0
    anisole 144.57
    cyclopentyl methyl ether 142.91
    gamma-butyrolactone 469.54
    1-methoxy-2-propanol 542.75
    pyridine 200.64
    3-pentanone 105.8
    furfural 463.15
    n-dodecane 2.52
    diethylene glycol 316.73
    diisopropyl ether 33.08
    tert-amyl alcohol 449.44
    acetylacetone 253.39
    n-hexadecane 2.74
    acetophenone 151.61
    methyl propionate 157.73
    isopentyl acetate 136.53
    trichloroethylene 198.76
    n-nonanol 50.72
    cyclohexanol 149.18
    benzyl alcohol 170.07
    2-ethylhexanol 60.56
    isooctanol 43.64
    dipropyl ether 39.59
    1,2-dichlorobenzene 56.75
    ethyl lactate 85.41
    propylene carbonate 229.23
    n-methylformamide 666.51
    2-pentanol 171.82
    n-pentane 5.77
    1-propoxy-2-propanol 164.19
    1-methoxy-2-propyl acetate 149.48
    2-(2-methoxypropoxy) propanol 200.94
    mesitylene 23.48
    ε-caprolactone 259.69
    p-cymene 19.64
    epichlorohydrin 420.08
    1,1,1-trichloroethane 68.08
    2-aminoethanol 440.48
    morpholine-4-carbaldehyde 743.8
    sulfolane 613.23
    2,2,4-trimethylpentane 5.92
    2-methyltetrahydrofuran 310.61
    n-hexyl acetate 100.52
    isooctane 3.5
    2-(2-butoxyethoxy)ethanol 268.01
    sec-butyl acetate 87.26
    tert-butyl acetate 155.77
    decalin 7.71
    glycerin 290.03
    diglyme 455.56
    acrylic acid 241.7
    isopropyl myristate 39.56
    n-butyric acid 328.15
    acetyl acetate 125.7
    di(2-ethylhexyl) phthalate 58.83
    ethyl propionate 99.27
    nitromethane 930.92
    1,2-diethoxyethane 166.15
    benzonitrile 133.72
    trioctyl phosphate 36.63
    1-bromopropane 62.81
    gamma-valerolactone 613.49
    n-decanol 38.11
    triethyl phosphate 55.83
    4-methyl-2-pentanol 94.78
    propionitrile 170.34
    vinylene carbonate 209.83
    1,1,2-trichlorotrifluoroethane 335.39
    DMS 99.79
    cumene 31.17
    2-octanol 35.34
    2-hexanone 145.2
    octyl acetate 51.88
    limonene 27.81
    1,2-dimethoxyethane 770.01
    ethyl orthosilicate 51.61
    tributyl phosphate 55.09
    diacetone alcohol 271.39
    N,N-dimethylaniline 127.12
    acrylonitrile 228.84
    aniline 107.02
    1,3-propanediol 520.38
    bromobenzene 40.55
    dibromomethane 89.34
    1,1,2,2-tetrachloroethane 187.76
    2-methyl-cyclohexyl acetate 82.25
    tetrabutyl urea 77.2
    diisobutyl methanol 38.09
    2-phenylethanol 103.1
    styrene 48.77
    dioctyl adipate 80.54
    dimethyl sulfate 204.67
    ethyl butyrate 84.6
    methyl lactate 131.48
    butyl lactate 80.22
    diethyl carbonate 67.37
    propanediol butyl ether 181.61
    triethyl orthoformate 63.18
    p-tert-butyltoluene 19.7
    methyl 4-tert-butylbenzoate 114.78
    morpholine 593.88
    tert-butylamine 284.37
    n-dodecanol 28.76
    dimethoxymethane 421.53
    ethylene carbonate 167.36
    cyrene 188.53
    2-ethoxyethyl acetate 120.09
    2-ethylhexyl acetate 90.64
    1,2,4-trichlorobenzene 80.68
    4-methylpyridine 243.62
    dibutyl ether 54.36
    2,6-dimethyl-4-heptanol 38.09
    DEF 343.63
    dimethyl isosorbide 261.73
    tetrachloroethylene 107.59
    eugenol 125.14
    triacetin 128.7
    span 80 137.98
    1,4-butanediol 227.95
    1,1-dichloroethane 94.08
    2-methyl-1-pentanol 230.9
    methyl formate 400.29
    2-methyl-1-butanol 254.89
    n-decane 3.66
    butyronitrile 199.14
    3,7-dimethyl-1-octanol 68.52
    1-chlorooctane 19.68
    1-chlorotetradecane 9.27
    n-nonane 3.16
    undecane 2.94
    tert-butylcyclohexane 7.64
    cyclooctane 2.36
    cyclopentanol 206.28
    tetrahydropyran 221.55
    tert-amyl methyl ether 176.35
    2,5,8-trioxanonane 348.79
    1-hexene 42.2
    2-isopropoxyethanol 312.58
    2,2,2-trifluoroethanol 198.26
    methyl butyrate 187.54

    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