monoMethyl succinate

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  • Identifiers

    CAS number
    3878-55-5

    Molecular formula
    C5H8O4

    SMILES
    COC(=O)CCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sour 60.82%
    Fruity 60.04%
    Winey 48.27%
    Caramellic 47.98%
    Sharp 38.06%
    Ethereal 37.29%
    Cheesy 36.67%
    Buttery 35.47%
    Fermented 29.51%
    Pungent 29.48%

     

    Flavor
    Fruity 47.37%
    Sweet 40.25%
    Sour 36.76%
    Cheese 34.05%
    Odorless 33.08%
    Sharp 32.63%
    Buttery 32.33%
    Butter 31.29%
    Creamy 30.82%
    Caramel 30.16%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.29 (neutral)

    Molecular weight
    132.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    257°C

    Flash point

    • 107.58 ˚C est.

  • Synonyms

    • 4-Methoxy-4-oxobutanoic acid
    • 3878-55-5
    • Monomethyl succinate
    • Succinic acid monomethyl ester
    • Methyl hydrogen succinate
    • Succinic acid, monomethyl ester
    • Butanedioic acid, monomethyl ester
    • 3-Carbomethoxypropanoic acid
    • DTXSID7044425
    • YA2V724S0A
    • butanedioic acid monomethyl ester
    • NSC-511
    • DTXCID5024425
    • CHEBI:75146
    • DL-methylsuccinate
    • 3H-methylsuccinate
    • RefChem:819335
    • 223-408-2
    • mono-Methyl hydrogen succinate
    • MFCD00002788
    • 4-methoxy-4-oxo-butanoic acid
    • 3-(methoxycarbonyl)propanoic acid
    • Butanedioic acid, 1-methyl ester
    • butanedioic acid 1-methyl ester
    • UNII-YA2V724S0A
    • NSC 511
    • EINECS 223-408-2
    • AI3-03389
    • Monomethyl hydrogen succinate
    • succinic acid 4-methyl ester
    • SCHEMBL164072
    • SCHEMBL597385
    • 3-methoxycarbonylpropionic acid
    • NSC511
    • orb3023426
    • SCHEMBL2242616
    • SCHEMBL6945786
    • SCHEMBL6949768
    • 4-Methoxy-4-oxobutanoic acid #
    • BDBM82193
    • JDRMYOQETPMYQX-UHFFFAOYSA-
    • 4-(methyloxy)-4-oxobutanoic acid
    • Butanedioic-13C4Acid1-MethylEster
    • Tox21_302188
    • mono-Methyl hydrogen succinate, 95%
    • SBB061270
    • STL068961
    • AKOS000264979
    • CS-W011096
    • EBC-618171
    • GS-3418
    • BUTANEDIOIC ACID,MONOMETHYL ESTER
    • NCGC00257549-01
    • BP-23493
    • FS163512
    • SY009523
    • CAS-3878-55-5
    • M3262
    • NS00030461
    • ST45043530
    • EN300-24949
    • F001779
    • J-515649
    • Q21045268
    • Z57663583
    • F1107-0326
    • InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
    • Methyl hydrogen succinate; Methyl monosuccinate; Monomethyl butane dioate; Monomethyl succinate; NSC 511; 4-methoxy-4-oxobutanoic acid
    • 3878-55-5

  • Applications

    monoMethyl succinate (CAS 3878-55-5) is primarily used as an intermediate in organic synthesis, serving as a building block for ester and polymer chemistries. It can act as a solvent or co-solvent in specialty formulations such as coatings, inks, and cleaning products. It may function as a plasticizer or processing aid in polymer systems. In perfumery and flavor applications, it is used as an odorant or fragrance component, and it may be evaluated for cosmetics as a solvent and fragrance carrier under local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 319.84
    methanol 620.06
    isopropanol 213.9
    water 226.31
    ethyl acetate 77.2
    n-propanol 191.13
    acetone 288.18
    n-butanol 152.13
    acetonitrile 247.54
    DMF 793.3
    toluene 29.65
    isobutanol 134.4
    1,4-dioxane 418.14
    methyl acetate 171.65
    THF 339.81
    2-butanone 158.82
    n-pentanol 96.51
    sec-butanol 155.71
    n-hexane 9.8
    ethylene glycol 128.54
    NMP 758.12
    cyclohexane 16.05
    DMSO 768.37
    n-butyl acetate 29.64
    n-octanol 45.97
    chloroform 65.76
    n-propyl acetate 46.08
    acetic acid 277.1
    dichloromethane 162.45
    cyclohexanone 162.18
    propylene glycol 84.28
    isopropyl acetate 41.08
    DMAc 835.43
    2-ethoxyethanol 254.93
    isopentanol 123.48
    n-heptane 6.19
    ethyl formate 168.63
    1,2-dichloroethane 121.72
    n-hexanol 41.03
    2-methoxyethanol 459.94
    isobutyl acetate 20.01
    tetrachloromethane 14.85
    n-pentyl acetate 32.3
    transcutol 301.25
    n-heptanol 32.43
    ethylbenzene 24.31
    MIBK 39.26
    2-propoxyethanol 105.84
    tert-butanol 257.9
    MTBE 131.69
    2-butoxyethanol 87.62
    propionic acid 126.02
    o-xylene 37.86
    formic acid 420.45
    diethyl ether 104.2
    m-xylene 19.85
    p-xylene 34.94
    chlorobenzene 32.5
    dimethyl carbonate 74.16
    n-octane 4.2
    formamide 789.19
    cyclopentanone 224.13
    2-pentanone 78.64
    anisole 90.36
    cyclopentyl methyl ether 98.2
    gamma-butyrolactone 335.72
    1-methoxy-2-propanol 205.14
    pyridine 185.28
    3-pentanone 65.28
    furfural 339.91
    n-dodecane 4.08
    diethylene glycol 123.23
    diisopropyl ether 20.63
    tert-amyl alcohol 199.65
    acetylacetone 88.84
    n-hexadecane 4.29
    acetophenone 82.61
    methyl propionate 90.01
    isopentyl acetate 27.94
    trichloroethylene 117.69
    n-nonanol 43.05
    cyclohexanol 96.69
    benzyl alcohol 85.94
    2-ethylhexanol 23.97
    isooctanol 26.7
    dipropyl ether 32.0
    1,2-dichlorobenzene 34.21
    ethyl lactate 35.57
    propylene carbonate 123.75
    n-methylformamide 447.51
    2-pentanol 70.43
    n-pentane 12.17
    1-propoxy-2-propanol 55.19
    1-methoxy-2-propyl acetate 39.07
    2-(2-methoxypropoxy) propanol 98.9
    mesitylene 13.32
    ε-caprolactone 148.8
    p-cymene 11.97
    epichlorohydrin 320.24
    1,1,1-trichloroethane 47.56
    2-aminoethanol 204.36
    morpholine-4-carbaldehyde 601.87
    sulfolane 383.34
    2,2,4-trimethylpentane 6.09
    2-methyltetrahydrofuran 228.17
    n-hexyl acetate 51.3
    isooctane 2.53
    2-(2-butoxyethoxy)ethanol 129.58
    sec-butyl acetate 27.7
    tert-butyl acetate 46.85
    decalin 7.22
    glycerin 139.67
    diglyme 270.75
    acrylic acid 124.67
    isopropyl myristate 22.19
    n-butyric acid 106.59
    acetyl acetate 51.01
    di(2-ethylhexyl) phthalate 29.03
    ethyl propionate 46.57
    nitromethane 558.22
    1,2-diethoxyethane 87.05
    benzonitrile 75.61
    trioctyl phosphate 21.15
    1-bromopropane 57.62
    gamma-valerolactone 392.13
    n-decanol 32.55
    triethyl phosphate 27.88
    4-methyl-2-pentanol 35.46
    propionitrile 121.4
    vinylene carbonate 130.03
    1,1,2-trichlorotrifluoroethane 155.82
    DMS 46.54
    cumene 19.78
    2-octanol 23.94
    2-hexanone 56.78
    octyl acetate 31.57
    limonene 16.43
    1,2-dimethoxyethane 430.14
    ethyl orthosilicate 27.27
    tributyl phosphate 25.92
    diacetone alcohol 80.13
    N,N-dimethylaniline 82.4
    acrylonitrile 161.36
    aniline 87.22
    1,3-propanediol 234.24
    bromobenzene 23.8
    dibromomethane 78.69
    1,1,2,2-tetrachloroethane 94.39
    2-methyl-cyclohexyl acetate 31.8
    tetrabutyl urea 45.67
    diisobutyl methanol 15.18
    2-phenylethanol 43.43
    styrene 29.27
    dioctyl adipate 40.43
    dimethyl sulfate 136.71
    ethyl butyrate 31.12
    methyl lactate 69.5
    butyl lactate 29.42
    diethyl carbonate 28.61
    propanediol butyl ether 76.94
    triethyl orthoformate 29.46
    p-tert-butyltoluene 11.01
    methyl 4-tert-butylbenzoate 63.09
    morpholine 430.9
    tert-butylamine 136.08
    n-dodecanol 25.16
    dimethoxymethane 288.85
    ethylene carbonate 109.44
    cyrene 112.59
    2-ethoxyethyl acetate 53.77
    2-ethylhexyl acetate 21.59
    1,2,4-trichlorobenzene 44.55
    4-methylpyridine 172.78
    dibutyl ether 39.93
    2,6-dimethyl-4-heptanol 15.18
    DEF 199.98
    dimethyl isosorbide 138.83
    tetrachloroethylene 65.46
    eugenol 66.91
    triacetin 59.59
    span 80 60.22
    1,4-butanediol 103.25
    1,1-dichloroethane 69.36
    2-methyl-1-pentanol 91.05
    methyl formate 334.35
    2-methyl-1-butanol 125.93
    n-decane 6.27
    butyronitrile 107.12
    3,7-dimethyl-1-octanol 36.11
    1-chlorooctane 18.33
    1-chlorotetradecane 8.93
    n-nonane 5.84
    undecane 4.92
    tert-butylcyclohexane 5.46
    cyclooctane 5.81
    cyclopentanol 139.53
    tetrahydropyran 174.32
    tert-amyl methyl ether 102.58
    2,5,8-trioxanonane 202.2
    1-hexene 25.0
    2-isopropoxyethanol 126.26
    2,2,2-trifluoroethanol 155.56
    methyl butyrate 75.43

    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