Butanedioic acid, 1-ethyl 4-methyl ester

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  • Identifiers

    CAS number
    627-73-6

    Molecular formula
    C7H12O4

    SMILES
    CCOC(=O)CCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.87%
    Green 71.34%
    Winey 69.22%
    Apple 63.52%
    Sweet 56.75%
    Ethereal 55.42%
    Rummy 42.15%
    Pineapple 40.13%
    Caramellic 39.47%
    Fermented 37.38%

     

    Flavor
    Fruity 92.38%
    Sweet 59.66%
    Green 59.57%
    Apple 57.9%
    Pineapple 49.04%
    Floral 47.46%
    Fruit 46.7%
    Wine 43.19%
    Grape 42.78%
    Pear 38.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.85 (neutral)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    206°C

    Flash point

    • 80.28 ˚C est.

  • Synonyms

    • 627-73-6
    • Butanedioic acid, 1-ethyl 4-methyl ester
    • RefChem:570803
    • 613-081-8
    • Butanedioic acid, ethyl methyl ester
    • Succinic acid 1-ethyl 4-methyl ester
    • 4-O-ethyl 1-O-methyl butanedioate
    • ethyl methyl succinate
    • ethyl methyl butanedioate
    • methyl ethyl succinate
    • Ethyl methyl_succinate
    • Ethyl methyl ester of butanedioic acid
    • 45FT4FDT4A
    • 1-Ethyl 4-methyl succinate #
    • SCHEMBL1981808
    • SCHEMBL5835931
    • SCHEMBL9387033
    • DTXSID7074327
    • SCHEMBL11066780
    • SCHEMBL16765644
    • O4-ethyl O1-methyl butanedioate
    • CHEBI:173693
    • Butandioic acid ethyl methyl ester
    • MFCD23844237
    • AKOS018719670
    • AS-76808
    • NS00035164
    • D93546
    • Q63408769
    • 627-73-6

  • Applications

    Butanedioic acid, 1-ethyl 4-methyl ester (CAS 627-73-6) is used primarily as a chemical intermediate and processing aid in industrial manufacturing: it serves as a building block for polyester and polyurethane resins via transesterification; it acts as a plasticizer to improve flexibility of PVC and other thermoplastics; it functions as a solvent or co-solvent in coatings, inks, and cleaning formulations; it can be a precursor for the synthesis of specialty esters and polymeric materials; and it is used as a diluent/working solvent in various processing chemistries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.34
    methanol 248.43
    isopropanol 105.27
    water 9.99
    ethyl acetate 273.06
    n-propanol 88.89
    acetone 577.66
    n-butanol 75.14
    acetonitrile 597.66
    DMF 1660.4
    toluene 109.8
    isobutanol 75.4
    1,4-dioxane 410.37
    methyl acetate 431.56
    THF 529.72
    2-butanone 384.63
    n-pentanol 64.13
    sec-butanol 98.78
    n-hexane 12.99
    ethylene glycol 54.13
    NMP 2201.39
    cyclohexane 12.65
    DMSO 2131.07
    n-butyl acetate 128.93
    n-octanol 27.04
    chloroform 528.54
    n-propyl acetate 168.33
    acetic acid 667.42
    dichloromethane 806.18
    cyclohexanone 432.63
    propylene glycol 45.41
    isopropyl acetate 147.42
    DMAc 2044.07
    2-ethoxyethanol 275.63
    isopentanol 83.29
    n-heptane 4.56
    ethyl formate 276.89
    1,2-dichloroethane 503.47
    n-hexanol 33.14
    2-methoxyethanol 407.37
    isobutyl acetate 82.67
    tetrachloromethane 73.12
    n-pentyl acetate 64.97
    transcutol 708.87
    n-heptanol 18.1
    ethylbenzene 86.05
    MIBK 109.49
    2-propoxyethanol 133.82
    tert-butanol 169.2
    MTBE 224.03
    2-butoxyethanol 74.16
    propionic acid 259.37
    o-xylene 115.36
    formic acid 462.75
    diethyl ether 143.01
    m-xylene 68.39
    p-xylene 132.94
    chlorobenzene 253.91
    dimethyl carbonate 224.6
    n-octane 2.32
    formamide 1069.59
    cyclopentanone 717.09
    2-pentanone 202.28
    anisole 359.29
    cyclopentyl methyl ether 213.97
    gamma-butyrolactone 1101.83
    1-methoxy-2-propanol 232.13
    pyridine 578.51
    3-pentanone 224.6
    furfural 1416.11
    n-dodecane 2.23
    diethylene glycol 141.9
    diisopropyl ether 43.33
    tert-amyl alcohol 182.92
    acetylacetone 438.3
    n-hexadecane 2.59
    acetophenone 430.85
    methyl propionate 269.0
    isopentyl acetate 125.15
    trichloroethylene 1181.07
    n-nonanol 25.58
    cyclohexanol 94.27
    benzyl alcohol 207.77
    2-ethylhexanol 30.9
    isooctanol 19.08
    dipropyl ether 48.9
    1,2-dichlorobenzene 324.34
    ethyl lactate 94.57
    propylene carbonate 516.81
    n-methylformamide 690.3
    2-pentanol 56.06
    n-pentane 8.61
    1-propoxy-2-propanol 83.9
    1-methoxy-2-propyl acetate 180.2
    2-(2-methoxypropoxy) propanol 174.42
    mesitylene 41.12
    ε-caprolactone 450.96
    p-cymene 38.24
    epichlorohydrin 1011.48
    1,1,1-trichloroethane 356.51
    2-aminoethanol 103.39
    morpholine-4-carbaldehyde 1430.77
    sulfolane 1699.72
    2,2,4-trimethylpentane 11.2
    2-methyltetrahydrofuran 410.0
    n-hexyl acetate 103.5
    isooctane 4.34
    2-(2-butoxyethoxy)ethanol 168.5
    sec-butyl acetate 112.79
    tert-butyl acetate 184.05
    decalin 15.21
    glycerin 115.42
    diglyme 488.1
    acrylic acid 335.69
    isopropyl myristate 42.38
    n-butyric acid 219.91
    acetyl acetate 304.17
    di(2-ethylhexyl) phthalate 61.68
    ethyl propionate 172.58
    nitromethane 2238.04
    1,2-diethoxyethane 167.43
    benzonitrile 346.37
    trioctyl phosphate 29.55
    1-bromopropane 160.81
    gamma-valerolactone 1108.25
    n-decanol 17.89
    triethyl phosphate 109.02
    4-methyl-2-pentanol 35.95
    propionitrile 235.79
    vinylene carbonate 504.39
    1,1,2-trichlorotrifluoroethane 749.38
    DMS 216.06
    cumene 61.68
    2-octanol 15.85
    2-hexanone 169.77
    octyl acetate 51.5
    limonene 50.7
    1,2-dimethoxyethane 615.45
    ethyl orthosilicate 89.59
    tributyl phosphate 57.59
    diacetone alcohol 199.61
    N,N-dimethylaniline 268.79
    acrylonitrile 471.96
    aniline 208.57
    1,3-propanediol 127.8
    bromobenzene 241.95
    dibromomethane 367.73
    1,1,2,2-tetrachloroethane 706.31
    2-methyl-cyclohexyl acetate 121.56
    tetrabutyl urea 88.42
    diisobutyl methanol 23.55
    2-phenylethanol 105.64
    styrene 128.45
    dioctyl adipate 99.18
    dimethyl sulfate 726.63
    ethyl butyrate 121.08
    methyl lactate 156.73
    butyl lactate 65.11
    diethyl carbonate 122.17
    propanediol butyl ether 82.31
    triethyl orthoformate 94.91
    p-tert-butyltoluene 33.85
    methyl 4-tert-butylbenzoate 188.39
    morpholine 482.08
    tert-butylamine 98.17
    n-dodecanol 13.68
    dimethoxymethane 427.37
    ethylene carbonate 337.69
    cyrene 272.5
    2-ethoxyethyl acetate 148.47
    2-ethylhexyl acetate 102.05
    1,2,4-trichlorobenzene 430.44
    4-methylpyridine 657.75
    dibutyl ether 50.93
    2,6-dimethyl-4-heptanol 23.55
    DEF 523.62
    dimethyl isosorbide 424.52
    tetrachloroethylene 448.65
    eugenol 163.2
    triacetin 228.39
    span 80 97.68
    1,4-butanediol 58.69
    1,1-dichloroethane 341.83
    2-methyl-1-pentanol 82.63
    methyl formate 539.6
    2-methyl-1-butanol 88.82
    n-decane 3.79
    butyronitrile 169.43
    3,7-dimethyl-1-octanol 39.81
    1-chlorooctane 21.88
    1-chlorotetradecane 9.49
    n-nonane 3.48
    undecane 2.77
    tert-butylcyclohexane 13.03
    cyclooctane 4.47
    cyclopentanol 126.77
    tetrahydropyran 200.63
    tert-amyl methyl ether 189.53
    2,5,8-trioxanonane 357.15
    1-hexene 44.67
    2-isopropoxyethanol 157.54
    2,2,2-trifluoroethanol 338.24
    methyl butyrate 255.0

    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