Methsuximide

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  • Identifiers

    CAS number
    77-41-8

    Molecular formula
    C12H13NO2

    SMILES
    CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 37.74%
    Odorless 32.02%
    Woody 27.84%
    Spicy 26.98%
    Burnt 26.11%
    Tobacco 25.59%
    Bitter 24.07%
    Caramellic 23.42%
    Honey 23.3%
    Nutty 23.27%

     

    Flavor
    Bitter 69.69%
    Cedarleaf 20.6%
    Lovage 20.47%
    Nitrile 19.58%
    Basil 19.47%
    Fenugreek 19.37%
    Genet 19.34%
    Orange flower 19.32%
    Broom 19.3%
    Ripe apricot 19.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.65 (neutral)

    Molecular weight
    203.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 52.5 °C
    • 52-53 °C

    Boiling point

    • 121.5 °C at 1.00E-01 mm Hg
    • 121-122 °C at 0.1 mm Hg

    Flash point

    • 157.91 ˚C est.

    Solubility expt.

    • Freely sol in methanol, alcohol
    • Slightly soluble in hot water; freely soluble in alcohol and ether; very soluble in chloroform.
    • 2.13e+00 g/L

  • Synonyms

    • METHSUXIMIDE
    • Mesuximide
    • 77-41-8
    • Celontin
    • 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione
    • Methsuximid
    • Petinutin
    • Metsuccimide
    • Mesuximidum
    • mesuximid
    • alpha-Methylphensuximide
    • N,2-Dimethyl-2-phenylsuccinimide
    • 1,3-Dimethyl-3-phenylsuccinimide
    • Mesuximida
    • Metosuccimmide [DCIT]
    • Metosuccimmide
    • Mesuximidum [INN-Latin]
    • 1,3-Dimethyl-3-phenyl-2,5-dioxopyrrolidine
    • Mesuximida [INN-Spanish]
    • 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione
    • 1,3-Dimethyl-3-phenyl-pyrrolidin-2,5-dione
    • 2,5-Pyrrolidinedione, 1,3-dimethyl-3-phenyl-
    • N-Methyl-alpha-methyl-alpha-phenylsuccinimide
    • alpha-Methyl-alpha-phenyl N-methyl succinimide
    • PM 396
    • (RS)-1,3-Dimethyl-3-phenyl-2,5-pyrrolidindion
    • Succinimide, N,2-dimethyl-2-phenyl-
    • Methsuximide (USP)
    • HSDB 3124
    • EINECS 201-026-7
    • Mesuximide (INN)
    • Mesuximide [INN]
    • NSC-760075
    • UNII-0G76K8X6C0
    • BRN 0168315
    • Methsuximide [USP]
    • DTXSID5023293
    • 0G76K8X6C0
    • MFCD00072132
    • DTXCID603293
    • 5-21-11-00209 (Beilstein Handbook Reference)
    • NSC 760075
    • NCGC00189077-01
    • Mesuximidum (INN-Latin)
    • Mesuximida (INN-Spanish)
    • MESUXIMIDE (MART.)
    • MESUXIMIDE [MART.]
    • (+/-)-N,2-DIMETHYL-2-PHENYLSUCCINIMIDE
    • METHSUXIMIDE (USP-RS)
    • METHSUXIMIDE [USP-RS]
    • 2,5-PYRROLIDINEDIONE,1,3-DIMETHYL-3-PHENYL-, (+/-)-
    • METHSUXIMIDE (USP MONOGRAPH)
    • METHSUXIMIDE [USP MONOGRAPH]
    • Celontin (TN)
    • (+/-)-Mesuximide
    • (+-)-N,2-Dimethyl-2-phenylsuccinimide
    • Mesuximide; Celontin
    • Methsuximide (Standard)
    • METHSUXIMIDE [MI]
    • .alpha.-Methylphensuximide
    • CHEMBL697
    • 2,5-Pyrrolidinedione,1,3-dimethyl-3-phenyl-
    • METHSUXIMIDE [HSDB]
    • MESUXIMIDE [WHO-DD]
    • METHSUXIMIDE [VANDF]
    • SCHEMBL34852
    • CHEBI:6846
    • GTPL7228
    • 2,5-Pyrrolidinedione,1,3-dimethyl-3-phenyl-, (+-)-
    • HY-B1376R
    • N03AD03
    • HMS3264P21
    • METHSUXIMIDE [ORANGE BOOK]
    • Pharmakon1600-01505443
    • HY-B1376
    • Tox21_113613
    • AC9293
    • NSC760075
    • AKOS015962173
    • CCG-213444
    • DB05246
    • CAS-77-41-8
    • AC-15963
    • AS-88007
    • DA-65373
    • SY251111
    • 1ST165599
    • CS-0013113
    • NS00008219
    • 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione #
    • D00404
    • SBI-0653356.0001
    • AB01563316_01
    • EN300-9537236
    • N-Methyl-.alpha.,.alpha.-methylphenylsuccinimide
    • N-Methyl-.alpha.-methyl-.alpha.-phenylsuccinimide
    • Q906414
    • SR-01000942246
    • .alpha.-Methyl-.alpha.-phenyl N-methyl succinimide
    • SR-01000942246-1
    • BRD-A57592049-001-01-6
    • Z649373426
    • 201-026-7

  • Applications

    Methsuximide (CAS 77-41-8) is primarily encountered in pharmaceutical contexts as a succinimide-based scaffold and synthetic intermediate used in medicinal chemistry for developing related derivatives. The compound also plays a role in analytical and quality-control work as a reference material for impurity profiling in laboratories. In research settings it is used to study structure–activity relationships of succinimide derivatives and is supplied for medicinal chemistry and organic synthesis research. In specialty chemical supply chains, it is offered to academic and industry researchers for pharmaceutical research and for accessing heterocyclic frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 125.48
    methanol 261.56
    isopropanol 103.11
    water 8.84
    ethyl acetate 142.9
    n-propanol 95.68
    acetone 231.59
    n-butanol 74.56
    acetonitrile 226.59
    DMF 546.79
    toluene 96.2
    isobutanol 68.05
    1,4-dioxane 340.21
    methyl acetate 190.06
    THF 280.91
    2-butanone 181.97
    n-pentanol 47.58
    sec-butanol 66.21
    n-hexane 0.76
    ethylene glycol 61.79
    NMP 279.0
    cyclohexane 2.05
    DMSO 226.05
    n-butyl acetate 64.44
    n-octanol 20.69
    chloroform 642.35
    n-propyl acetate 73.66
    acetic acid 179.9
    dichloromethane 594.97
    cyclohexanone 229.54
    propylene glycol 46.8
    isopropyl acetate 83.58
    DMAc 372.62
    2-ethoxyethanol 138.81
    isopentanol 75.06
    n-heptane 0.77
    ethyl formate 161.39
    1,2-dichloroethane 281.67
    n-hexanol 45.45
    2-methoxyethanol 296.14
    isobutyl acetate 50.0
    tetrachloromethane 45.14
    n-pentyl acetate 43.27
    transcutol 152.24
    n-heptanol 26.92
    ethylbenzene 44.53
    MIBK 84.47
    2-propoxyethanol 134.19
    tert-butanol 119.53
    MTBE 58.16
    2-butoxyethanol 73.36
    propionic acid 114.66
    o-xylene 56.01
    formic acid 178.56
    diethyl ether 59.15
    m-xylene 56.23
    p-xylene 66.41
    chlorobenzene 156.78
    dimethyl carbonate 119.65
    n-octane 0.68
    formamide 387.65
    cyclopentanone 292.5
    2-pentanone 115.32
    anisole 137.97
    cyclopentyl methyl ether 84.36
    gamma-butyrolactone 360.66
    1-methoxy-2-propanol 178.55
    pyridine 326.05
    3-pentanone 93.76
    furfural 382.36
    n-dodecane 0.99
    diethylene glycol 140.12
    diisopropyl ether 15.12
    tert-amyl alcohol 80.31
    acetylacetone 186.32
    n-hexadecane 1.18
    acetophenone 131.29
    methyl propionate 127.8
    isopentyl acetate 63.67
    trichloroethylene 637.62
    n-nonanol 20.18
    cyclohexanol 60.22
    benzyl alcohol 125.42
    2-ethylhexanol 24.13
    isooctanol 24.09
    dipropyl ether 19.61
    1,2-dichlorobenzene 142.99
    ethyl lactate 50.34
    propylene carbonate 201.75
    n-methylformamide 321.17
    2-pentanol 39.98
    n-pentane 0.88
    1-propoxy-2-propanol 65.8
    1-methoxy-2-propyl acetate 88.74
    2-(2-methoxypropoxy) propanol 67.04
    mesitylene 27.03
    ε-caprolactone 170.7
    p-cymene 20.58
    epichlorohydrin 423.61
    1,1,1-trichloroethane 208.99
    2-aminoethanol 102.29
    morpholine-4-carbaldehyde 328.4
    sulfolane 286.43
    2,2,4-trimethylpentane 1.51
    2-methyltetrahydrofuran 149.49
    n-hexyl acetate 53.72
    isooctane 1.23
    2-(2-butoxyethoxy)ethanol 77.27
    sec-butyl acetate 53.09
    tert-butyl acetate 80.75
    decalin 2.91
    glycerin 110.08
    diglyme 170.26
    acrylic acid 132.6
    isopropyl myristate 22.91
    n-butyric acid 143.85
    acetyl acetate 115.47
    di(2-ethylhexyl) phthalate 35.43
    ethyl propionate 74.09
    nitromethane 419.5
    1,2-diethoxyethane 52.22
    benzonitrile 162.55
    trioctyl phosphate 21.12
    1-bromopropane 74.66
    gamma-valerolactone 376.89
    n-decanol 14.85
    triethyl phosphate 35.48
    4-methyl-2-pentanol 30.46
    propionitrile 166.0
    vinylene carbonate 241.96
    1,1,2-trichlorotrifluoroethane 241.48
    DMS 86.7
    cumene 28.95
    2-octanol 17.55
    2-hexanone 68.85
    octyl acetate 29.23
    limonene 21.48
    1,2-dimethoxyethane 219.53
    ethyl orthosilicate 31.28
    tributyl phosphate 25.23
    diacetone alcohol 108.77
    N,N-dimethylaniline 80.15
    acrylonitrile 295.44
    aniline 150.8
    1,3-propanediol 151.77
    bromobenzene 147.23
    dibromomethane 259.02
    1,1,2,2-tetrachloroethane 390.32
    2-methyl-cyclohexyl acetate 49.79
    tetrabutyl urea 33.8
    diisobutyl methanol 17.14
    2-phenylethanol 93.41
    styrene 57.69
    dioctyl adipate 36.89
    dimethyl sulfate 181.3
    ethyl butyrate 51.88
    methyl lactate 87.55
    butyl lactate 41.19
    diethyl carbonate 46.46
    propanediol butyl ether 47.72
    triethyl orthoformate 36.73
    p-tert-butyltoluene 19.21
    methyl 4-tert-butylbenzoate 82.27
    morpholine 279.64
    tert-butylamine 49.95
    n-dodecanol 11.15
    dimethoxymethane 253.44
    ethylene carbonate 182.73
    cyrene 104.86
    2-ethoxyethyl acetate 73.12
    2-ethylhexyl acetate 44.24
    1,2,4-trichlorobenzene 163.42
    4-methylpyridine 306.91
    dibutyl ether 17.17
    2,6-dimethyl-4-heptanol 17.14
    DEF 134.97
    dimethyl isosorbide 129.78
    tetrachloroethylene 255.22
    eugenol 88.12
    triacetin 66.1
    span 80 47.25
    1,4-butanediol 51.85
    1,1-dichloroethane 256.93
    2-methyl-1-pentanol 51.77
    methyl formate 265.57
    2-methyl-1-butanol 61.18
    n-decane 1.49
    butyronitrile 123.13
    3,7-dimethyl-1-octanol 23.18
    1-chlorooctane 10.97
    1-chlorotetradecane 4.84
    n-nonane 1.15
    undecane 1.18
    tert-butylcyclohexane 2.8
    cyclooctane 0.72
    cyclopentanol 80.02
    tetrahydropyran 138.31
    tert-amyl methyl ether 43.68
    2,5,8-trioxanonane 108.62
    1-hexene 7.07
    2-isopropoxyethanol 88.21
    2,2,2-trifluoroethanol 129.69
    methyl butyrate 102.51

    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