Methylsuccinic anhydride

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  • Identifiers

    CAS number
    4100-80-5

    Molecular formula
    C5H6O3

    SMILES
    CC1CC(=O)OC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 58.68%
    Burnt 47.2%
    Nutty 40.69%
    Buttery 40.1%
    Sweet 37.53%
    Coumarinic 36.66%
    Coconut 36.18%
    Tobacco 31.39%
    Odorless 30.62%
    Creamy 30.43%

     

    Flavor
    Sweet 49.1%
    Caramel 48.22%
    Buttery 33.25%
    Maple 30.62%
    Sugar 28.99%
    Tobacco 27.2%
    Bread 25.8%
    Creamy 25.16%
    Fatty 23.87%
    Candy 23.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    8.94 (weak base)

    Molecular weight
    114.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    248°C

    Flash point

    • 88.9 ˚C est.

  • Synonyms

    • Methylsuccinic anhydride
    • 3-methyloxolane-2,5-dione
    • 3-Methylsuccinic anhydride
    • 2,5-Furandione, dihydro-3-methyl-
    • EINECS 223-870-5
    • NSC 65437
    • 3,4-Dihydro-3-methyl-2,5-furandione
    • AI3-11208
    • CHEBI:87587
    • DTXSID10871900
    • RefChem:158319
    • DTXCID60819514
    • 223-870-5
    • DFATXMYLKPCSCX-UHFFFAOYSA-N
    • 4100-80-5
    • 3-methyldihydrofuran-2,5-dione
    • Pyrotartaric anhydride
    • 2-Methylsuccinic anhydride
    • Methylsuccinicanhydride
    • Succinic anhydride, methyl-
    • MFCD00005527
    • 3-Methyldihydrofuran-2,5-dione;3-Methyldihydrofuran-2,5-dione
    • 83247-83-0
    • 3-Methyltetrahydrofuran-2,5-dione
    • 1-Pyrotartaric anhydride
    • methyl succinic anhydride
    • methyl-succinic anhydride
    • 2, dihydro-3-methyl-
    • methylsuccinic acid anhydride
    • NCIOpen2_000303
    • SCHEMBL135300
    • Methylsuccinic anhydride, 98%
    • orb3027205
    • SCHEMBL6873491
    • 3-Methyldihydro-2,5-furandione
    • SCHEMBL18689907
    • 3-Methyldihydro-2,5-furandione #
    • CS-Z0015
    • GAA97320
    • NSC43978
    • NSC65437
    • NSC-43978
    • NSC-65437
    • AKOS009157111
    • ANHYDRIDE OF MONOMETHYL SUCCINATE
    • FM139157
    • SY113513
    • DB-013738
    • DB-049697
    • NS00048840
    • EN300-51761
    • F319399
    • Q27159753
    • 4100-80-5

  • Applications

    Methylsuccinic anhydride (CAS 4100-80-5) is primarily used as an intermediate in the synthesis of aliphatic polyesters and alkyd resins, where the methyl-substituted dicarboxylic anhydride can influence chain structure and hydrolytic stability. It also functions as a crosslinking component or reactive building block in epoxy resin formulations, enabling network formation under typical curing conditions. In fragrance and flavor chemistry, it may serve as a fragrance intermediate or precursor for aroma esters and related specialty compounds. It is sometimes evaluated for use in coating and ink resins and, where permitted, as a precursor to plasticizers or related specialty chemicals. Use is subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 408.23
    methanol 561.26
    isopropanol 306.03
    water 58.87
    ethyl acetate 246.59
    n-propanol 267.3
    acetone 450.03
    n-butanol 232.11
    acetonitrile 418.21
    DMF 878.07
    toluene 37.52
    isobutanol 183.71
    1,4-dioxane 345.98
    methyl acetate 303.08
    THF 382.82
    2-butanone 281.84
    n-pentanol 208.72
    sec-butanol 288.86
    n-hexane 8.56
    ethylene glycol 219.82
    NMP 823.99
    cyclohexane 4.87
    DMSO 701.94
    n-butyl acetate 93.12
    n-octanol 104.3
    chloroform 289.56
    n-propyl acetate 148.46
    acetic acid 2037.02
    dichloromethane 322.7
    cyclohexanone 262.41
    propylene glycol 290.3
    isopropyl acetate 127.0
    DMAc 624.12
    2-ethoxyethanol 423.98
    isopentanol 210.33
    n-heptane 4.61
    ethyl formate 227.72
    1,2-dichloroethane 181.91
    n-hexanol 126.49
    2-methoxyethanol 648.07
    isobutyl acetate 72.95
    tetrachloromethane 13.51
    n-pentyl acetate 90.88
    transcutol 833.27
    n-heptanol 70.94
    ethylbenzene 36.04
    MIBK 125.43
    2-propoxyethanol 281.03
    tert-butanol 334.09
    MTBE 144.54
    2-butoxyethanol 167.71
    propionic acid 460.11
    o-xylene 39.68
    formic acid 749.52
    diethyl ether 127.16
    m-xylene 37.89
    p-xylene 52.14
    chlorobenzene 102.17
    dimethyl carbonate 142.44
    n-octane 3.37
    formamide 900.03
    cyclopentanone 360.69
    2-pentanone 209.96
    anisole 151.23
    cyclopentyl methyl ether 134.34
    gamma-butyrolactone 615.1
    1-methoxy-2-propanol 475.91
    pyridine 247.58
    3-pentanone 130.1
    furfural 607.86
    n-dodecane 4.61
    diethylene glycol 320.0
    diisopropyl ether 34.87
    tert-amyl alcohol 316.04
    acetylacetone 318.17
    n-hexadecane 4.92
    acetophenone 183.24
    methyl propionate 216.26
    isopentyl acetate 86.95
    trichloroethylene 426.27
    n-nonanol 88.01
    cyclohexanol 153.37
    benzyl alcohol 171.93
    2-ethylhexanol 61.2
    isooctanol 58.34
    dipropyl ether 42.56
    1,2-dichlorobenzene 112.93
    ethyl lactate 133.15
    propylene carbonate 357.59
    n-methylformamide 547.74
    2-pentanol 181.53
    n-pentane 7.4
    1-propoxy-2-propanol 164.39
    1-methoxy-2-propyl acetate 133.26
    2-(2-methoxypropoxy) propanol 211.88
    mesitylene 24.5
    ε-caprolactone 306.82
    p-cymene 21.78
    epichlorohydrin 498.34
    1,1,1-trichloroethane 107.44
    2-aminoethanol 333.17
    morpholine-4-carbaldehyde 703.2
    sulfolane 666.96
    2,2,4-trimethylpentane 6.91
    2-methyltetrahydrofuran 283.85
    n-hexyl acetate 177.66
    isooctane 5.06
    2-(2-butoxyethoxy)ethanol 306.26
    sec-butyl acetate 89.12
    tert-butyl acetate 140.45
    decalin 7.66
    glycerin 408.46
    diglyme 405.25
    acrylic acid 590.74
    isopropyl myristate 58.32
    n-butyric acid 382.2
    acetyl acetate 198.5
    di(2-ethylhexyl) phthalate 75.41
    ethyl propionate 141.21
    nitromethane 1754.12
    1,2-diethoxyethane 138.67
    benzonitrile 183.58
    trioctyl phosphate 51.71
    1-bromopropane 79.83
    gamma-valerolactone 603.42
    n-decanol 66.22
    triethyl phosphate 51.49
    4-methyl-2-pentanol 102.29
    propionitrile 179.39
    vinylene carbonate 358.32
    1,1,2-trichlorotrifluoroethane 430.42
    DMS 153.18
    cumene 31.17
    2-octanol 60.47
    2-hexanone 159.53
    octyl acetate 85.47
    limonene 28.59
    1,2-dimethoxyethane 414.61
    ethyl orthosilicate 42.24
    tributyl phosphate 65.15
    diacetone alcohol 262.53
    N,N-dimethylaniline 107.07
    acrylonitrile 334.92
    aniline 120.55
    1,3-propanediol 396.92
    bromobenzene 77.3
    dibromomethane 154.46
    1,1,2,2-tetrachloroethane 283.38
    2-methyl-cyclohexyl acetate 75.31
    tetrabutyl urea 89.04
    diisobutyl methanol 36.18
    2-phenylethanol 127.5
    styrene 46.04
    dioctyl adipate 91.3
    dimethyl sulfate 267.21
    ethyl butyrate 78.49
    methyl lactate 221.18
    butyl lactate 107.83
    diethyl carbonate 64.47
    propanediol butyl ether 252.72
    triethyl orthoformate 54.12
    p-tert-butyltoluene 21.43
    methyl 4-tert-butylbenzoate 152.45
    morpholine 416.92
    tert-butylamine 137.63
    n-dodecanol 48.7
    dimethoxymethane 312.45
    ethylene carbonate 239.13
    cyrene 231.48
    2-ethoxyethyl acetate 148.25
    2-ethylhexyl acetate 60.9
    1,2,4-trichlorobenzene 154.82
    4-methylpyridine 278.88
    dibutyl ether 60.53
    2,6-dimethyl-4-heptanol 36.18
    DEF 283.1
    dimethyl isosorbide 259.41
    tetrachloroethylene 135.14
    eugenol 189.34
    triacetin 188.93
    span 80 177.37
    1,4-butanediol 204.08
    1,1-dichloroethane 163.24
    2-methyl-1-pentanol 190.44
    methyl formate 432.86
    2-methyl-1-butanol 196.54
    n-decane 6.49
    butyronitrile 165.42
    3,7-dimethyl-1-octanol 92.31
    1-chlorooctane 35.23
    1-chlorotetradecane 15.45
    n-nonane 5.73
    undecane 5.4
    tert-butylcyclohexane 8.08
    cyclooctane 2.38
    cyclopentanol 209.68
    tetrahydropyran 185.8
    tert-amyl methyl ether 123.5
    2,5,8-trioxanonane 302.63
    1-hexene 40.58
    2-isopropoxyethanol 255.2
    2,2,2-trifluoroethanol 449.82
    methyl butyrate 189.56

    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