Butanedioic acid, 2-acetyl-, 1,4-diethyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1115-30-6

    Molecular formula
    C10H16O5

    SMILES
    CCOC(=O)CC(C(=O)C)C(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 93.49%
    Winey 64.73%
    Green 62.15%
    Apple 61.57%
    Sweet 54.32%
    Caramellic 52.65%
    Herbal 42.25%
    Tropical 38.55%
    Pineapple 35.64%
    Floral 34.12%

     

    Flavor
    Fruity 74.37%
    Mild 40.14%
    Bitter 39.21%
    Wine 33.42%
    Grape 32.11%
    Creamy 30.58%
    Odorless 28.64%
    Fatty 27.5%
    Apple 24.38%
    Buttery 24.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.6 (neutral)

    Molecular weight
    216.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 121.0 ˚C est.

  • Synonyms

    • Diethyl 2-acetylsuccinate
    • 1115-30-6
    • NSC 233
    • EINECS 214-223-8
    • Butanedioic acid, 2-acetyl-, 1,4-diethyl ester
    • AI3-05620
    • DTXSID60870842
    • RefChem:122038
    • DTXCID60818527
    • DVSDDICSXBCMQJ-UHFFFAOYSA-N
    • Diethyl acetylsuccinate
    • diethyl 2-acetylbutanedioate
    • Diethyl acetosuccinate
    • Butanedioic acid, acetyl-, diethyl ester
    • Ethyl acetylsuccinate
    • Acetylsuccinic acid diethyl ester
    • MFCD00009157
    • Succinic acid, acetyl-, diethyl ester
    • 1,4-diethyl 2-acetylbutanedioate
    • Diethyl-2-acetylsuccinate
    • CBDivE_005241
    • Diethyl acetylsuccinate, 95%
    • SCHEMBL460011
    • Diethyl acetylsuccinate, 97+%
    • NSC233
    • NSC-233
    • diethyl 2-acetylbutane-1,4-dioate
    • BB_SC-12734
    • 2-acetyl-succinic acid diethyl ester
    • AC2238
    • SBB080687
    • STL199189
    • AKOS000120634
    • AC-12479
    • AS-10128
    • SY033184
    • DB-040987
    • CS-0067336
    • NS00015785
    • F241925
    • F0001-0251
    • 1115-30-6

  • Applications

    Chemical name: Butanedioic acid, 2-acetyl-, 1,4-diethyl ester (CAS 1115-30-6) is primarily used as an intermediate in organic synthesis for fragrance and flavor chemistry, enabling access to more complex aroma compounds. In perfumery and fragrance applications it may serve as a fragrance ingredient or building block for scent molecules, and in flavor applications as a precursor to ester-based flavor compounds. In cosmetics and personal care, it is evaluated as a fragrance constituent or formulation intermediate within scented products. In industrial manufacturing, it can function as a chemical precursor for specialty esters and intermediate synthesis, including resin and coating formulations. It may also be explored as a pharmaceutical or agrochemical intermediate under appropriate regulatory controls, with use restricted to formulation and synthetic processes and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.96
    methanol 159.55
    isopropanol 77.46
    water 2.8
    ethyl acetate 159.49
    n-propanol 62.36
    acetone 363.99
    n-butanol 51.95
    acetonitrile 271.47
    DMF 906.05
    toluene 86.56
    isobutanol 50.87
    1,4-dioxane 306.67
    methyl acetate 247.42
    THF 414.66
    2-butanone 203.87
    n-pentanol 44.11
    sec-butanol 67.84
    n-hexane 8.67
    ethylene glycol 36.4
    NMP 1398.77
    cyclohexane 9.85
    DMSO 1199.1
    n-butyl acetate 102.38
    n-octanol 22.24
    chloroform 430.64
    n-propyl acetate 99.75
    acetic acid 399.64
    dichloromethane 555.51
    cyclohexanone 351.18
    propylene glycol 32.39
    isopropyl acetate 94.48
    DMAc 1236.46
    2-ethoxyethanol 158.31
    isopentanol 55.34
    n-heptane 2.45
    ethyl formate 172.33
    1,2-dichloroethane 374.75
    n-hexanol 29.95
    2-methoxyethanol 262.49
    isobutyl acetate 53.22
    tetrachloromethane 44.43
    n-pentyl acetate 47.4
    transcutol 357.58
    n-heptanol 14.42
    ethylbenzene 76.44
    MIBK 70.2
    2-propoxyethanol 111.35
    tert-butanol 124.55
    MTBE 107.59
    2-butoxyethanol 54.66
    propionic acid 157.56
    o-xylene 89.98
    formic acid 231.97
    diethyl ether 78.46
    m-xylene 59.47
    p-xylene 105.41
    chlorobenzene 192.69
    dimethyl carbonate 134.95
    n-octane 1.52
    formamide 422.77
    cyclopentanone 487.08
    2-pentanone 120.67
    anisole 201.8
    cyclopentyl methyl ether 147.81
    gamma-butyrolactone 784.76
    1-methoxy-2-propanol 153.53
    pyridine 358.29
    3-pentanone 125.54
    furfural 782.35
    n-dodecane 1.63
    diethylene glycol 113.82
    diisopropyl ether 21.82
    tert-amyl alcohol 113.34
    acetylacetone 270.63
    n-hexadecane 1.94
    acetophenone 244.97
    methyl propionate 164.61
    isopentyl acetate 97.35
    trichloroethylene 701.27
    n-nonanol 20.78
    cyclohexanol 81.68
    benzyl alcohol 143.65
    2-ethylhexanol 25.93
    isooctanol 13.94
    dipropyl ether 30.93
    1,2-dichlorobenzene 223.86
    ethyl lactate 63.99
    propylene carbonate 369.23
    n-methylformamide 359.56
    2-pentanol 34.48
    n-pentane 4.69
    1-propoxy-2-propanol 67.05
    1-methoxy-2-propyl acetate 120.49
    2-(2-methoxypropoxy) propanol 120.22
    mesitylene 34.58
    ε-caprolactone 363.49
    p-cymene 28.92
    epichlorohydrin 603.29
    1,1,1-trichloroethane 226.63
    2-aminoethanol 57.77
    morpholine-4-carbaldehyde 804.27
    sulfolane 1114.6
    2,2,4-trimethylpentane 5.45
    2-methyltetrahydrofuran 280.78
    n-hexyl acetate 76.66
    isooctane 2.12
    2-(2-butoxyethoxy)ethanol 111.89
    sec-butyl acetate 69.45
    tert-butyl acetate 104.83
    decalin 12.62
    glycerin 84.9
    diglyme 262.34
    acrylic acid 195.01
    isopropyl myristate 30.94
    n-butyric acid 151.35
    acetyl acetate 182.36
    di(2-ethylhexyl) phthalate 51.59
    ethyl propionate 110.27
    nitromethane 989.77
    1,2-diethoxyethane 89.29
    benzonitrile 210.73
    trioctyl phosphate 26.43
    1-bromopropane 117.1
    gamma-valerolactone 703.29
    n-decanol 14.9
    triethyl phosphate 74.53
    4-methyl-2-pentanol 23.63
    propionitrile 124.02
    vinylene carbonate 345.98
    1,1,2-trichlorotrifluoroethane 474.73
    DMS 141.65
    cumene 50.3
    2-octanol 12.09
    2-hexanone 97.96
    octyl acetate 39.27
    limonene 38.07
    1,2-dimethoxyethane 364.89
    ethyl orthosilicate 60.96
    tributyl phosphate 46.77
    diacetone alcohol 126.14
    N,N-dimethylaniline 167.89
    acrylonitrile 220.56
    aniline 152.97
    1,3-propanediol 85.06
    bromobenzene 194.6
    dibromomethane 299.18
    1,1,2,2-tetrachloroethane 525.87
    2-methyl-cyclohexyl acetate 91.59
    tetrabutyl urea 68.8
    diisobutyl methanol 18.15
    2-phenylethanol 82.73
    styrene 99.62
    dioctyl adipate 70.56
    dimethyl sulfate 409.27
    ethyl butyrate 85.51
    methyl lactate 110.35
    butyl lactate 54.52
    diethyl carbonate 83.3
    propanediol butyl ether 65.6
    triethyl orthoformate 65.37
    p-tert-butyltoluene 26.39
    methyl 4-tert-butylbenzoate 117.96
    morpholine 338.52
    tert-butylamine 64.01
    n-dodecanol 11.23
    dimethoxymethane 260.73
    ethylene carbonate 254.63
    cyrene 192.25
    2-ethoxyethyl acetate 92.98
    2-ethylhexyl acetate 82.45
    1,2,4-trichlorobenzene 295.14
    4-methylpyridine 438.68
    dibutyl ether 34.52
    2,6-dimethyl-4-heptanol 18.15
    DEF 286.91
    dimethyl isosorbide 266.18
    tetrachloroethylene 305.32
    eugenol 110.28
    triacetin 128.27
    span 80 76.44
    1,4-butanediol 37.27
    1,1-dichloroethane 238.02
    2-methyl-1-pentanol 56.22
    methyl formate 318.43
    2-methyl-1-butanol 58.49
    n-decane 2.74
    butyronitrile 105.08
    3,7-dimethyl-1-octanol 29.05
    1-chlorooctane 16.93
    1-chlorotetradecane 7.36
    n-nonane 2.44
    undecane 2.05
    tert-butylcyclohexane 9.2
    cyclooctane 3.08
    cyclopentanol 106.1
    tetrahydropyran 164.98
    tert-amyl methyl ether 98.31
    2,5,8-trioxanonane 203.72
    1-hexene 31.7
    2-isopropoxyethanol 93.61
    2,2,2-trifluoroethanol 192.11
    methyl butyrate 159.43

    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