Dimethylhydantoin

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  • Identifiers

    CAS number
    77-71-4

    Molecular formula
    C5H8N2O2

    SMILES
    CC1(C(=O)NC(=O)N1)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.91%
    Sweet 39.48%
    Burnt 29.23%
    Nutty 27.93%
    Caramellic 26.4%
    Roasted 23.32%
    Popcorn 22.77%
    Bitter 17.54%
    Musty 16.74%
    Savory 16.3%

     

    Flavor
    Bitter 46.36%
    Odorless 26.61%
    Extremely sweet 19.96%
    Cotton candy 19.93%
    Fenugreek 19.87%
    Taco 19.8%
    Seedy 19.68%
    Roasted peanuts 19.46%
    Cedarleaf 19.42%
    Very mild 19.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    9.28 (weak base)

    Molecular weight
    128.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 178 °C

    Boiling point

    • Sublimes

    Flash point

    • 144.76 ˚C est.

    Solubility expt.

    • Very soluble in ethanol, ether, acetone, benzene, chloroform; soluble in DMSO

  • Synonyms

    • 5,5-DIMETHYLHYDANTOIN
    • 77-71-4
    • Dimethylhydantoin
    • 2,4-Imidazolidinedione, 5,5-dimethyl-
    • Dantoin DMH
    • 5,5-Dimethyl-2,4-imidazolidinedione
    • Dantoin 736
    • Hydantoin, 5,5-dimethyl-
    • 5,5-Dimethyl hydantoin
    • DTXSID5021754
    • 34032MQ9RO
    • NSC-8652
    • DTXCID601754
    • RefChem:527790
    • 201-051-3
    • 5,5-dimethylimidazolidine-2,4-dione
    • DM Hydantoin
    • MFCD00005266
    • NSC 8652
    • CHEMBL3181806
    • 4,4-dimethyl-2,5-dioxoimidazolidine
    • CAS-77-71-4
    • HSDB 5216
    • EINECS 201-051-3
    • BRN 0002827
    • UNII-34032MQ9RO
    • AI3-61127
    • 5,5-dimethyl-hydantoin
    • EC 201-051-3
    • SCHEMBL22069
    • 5-24-05-00348 (Beilstein Handbook Reference)
    • SCHEMBL992469
    • 5 pound not5-Dimethylhydantoin
    • 5,5-Dimethylhydantoin, 97%
    • SCHEMBL7554333
    • SCHEMBL11085221
    • SCHEMBL11534968
    • NSC8652
    • CHEBI:183672
    • WLN: T5MVMV EHJ E1 E1
    • BB_SC-06899
    • STR04524
    • Tox21_202049
    • Tox21_300361
    • 5,5-Dimethylimidazolidin-2,4-dione
    • BBL010734
    • BDBM50182427
    • STK532811
    • 5,5-Dimethyl-imidazolidin-2,4-dion
    • 5,5-Dimethyl-imidazolidin-2,4-dione
    • AKOS000120928
    • 5,5-dimethyl-imidazolidine-2,4-dione
    • CS-W011134
    • EBC-613033
    • FD33954
    • 5,5-DIMETHYL HYDANTOIN [HSDB]
    • NCGC00248006-01
    • NCGC00248006-02
    • NCGC00254403-01
    • NCGC00259598-01
    • 5,5-Dimethylhydantoin; LC-tDDA; CE30
    • 5,5-dimethyl-1,3-diazolidine-2,4-dione
    • D0739
    • NS00005012
    • ST50409571
    • EN300-16759
    • D77989
    • F236719
    • Q27256302
    • Z56766998
    • F1908-0098
    • InChI=1/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9
    • 77-71-4

  • Applications

    Dimethylhydantoin, CAS 77-71-4, is primarily used as an intermediate in the synthesis of hydantoin derivatives, serving as a building block for products in pharmaceutical and agrochemical sectors. It is also viewed as a precursor for industrial hydantoin compounds and can participate in the synthesis of materials used in plastics and rubber. In coatings and inks, dimethylhydantoin can function as a processing aid or linking component to improve formulation stability. Additionally, it is considered an industrial intermediate that may be incorporated into various production and formulation routes, subject to local regulations and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.42
    methanol 281.39
    isopropanol 105.09
    water 169.13
    ethyl acetate 23.81
    n-propanol 86.67
    acetone 70.89
    n-butanol 59.36
    acetonitrile 46.56
    DMF 274.84
    toluene 2.72
    isobutanol 54.89
    1,4-dioxane 49.2
    methyl acetate 32.51
    THF 89.26
    2-butanone 40.13
    n-pentanol 43.66
    sec-butanol 82.69
    n-hexane 0.83
    ethylene glycol 92.12
    NMP 186.08
    cyclohexane 0.38
    DMSO 198.76
    n-butyl acetate 10.32
    n-octanol 12.15
    chloroform 24.3
    n-propyl acetate 14.3
    acetic acid 154.17
    dichloromethane 26.04
    cyclohexanone 34.67
    propylene glycol 141.51
    isopropyl acetate 13.83
    DMAc 217.65
    2-ethoxyethanol 94.57
    isopentanol 39.46
    n-heptane 0.55
    ethyl formate 40.48
    1,2-dichloroethane 13.22
    n-hexanol 21.38
    2-methoxyethanol 198.43
    isobutyl acetate 8.15
    tetrachloromethane 3.6
    n-pentyl acetate 10.32
    transcutol 57.65
    n-heptanol 14.4
    ethylbenzene 2.14
    MIBK 18.04
    2-propoxyethanol 66.94
    tert-butanol 66.66
    MTBE 15.79
    2-butoxyethanol 37.75
    propionic acid 67.76
    o-xylene 3.3
    formic acid 290.01
    diethyl ether 16.06
    m-xylene 3.36
    p-xylene 4.01
    chlorobenzene 4.28
    dimethyl carbonate 20.35
    n-octane 0.37
    formamide 272.03
    cyclopentanone 62.22
    2-pentanone 28.58
    anisole 9.6
    cyclopentyl methyl ether 18.63
    gamma-butyrolactone 94.09
    1-methoxy-2-propanol 131.51
    pyridine 21.57
    3-pentanone 15.02
    furfural 84.88
    n-dodecane 0.35
    diethylene glycol 83.48
    diisopropyl ether 3.46
    tert-amyl alcohol 57.5
    acetylacetone 30.79
    n-hexadecane 0.37
    acetophenone 15.44
    methyl propionate 28.92
    isopentyl acetate 10.13
    trichloroethylene 25.04
    n-nonanol 10.32
    cyclohexanol 22.84
    benzyl alcohol 19.16
    2-ethylhexanol 8.01
    isooctanol 10.45
    dipropyl ether 5.39
    1,2-dichlorobenzene 5.23
    ethyl lactate 20.85
    propylene carbonate 47.21
    n-methylformamide 168.58
    2-pentanol 34.68
    n-pentane 0.87
    1-propoxy-2-propanol 34.77
    1-methoxy-2-propyl acetate 18.47
    2-(2-methoxypropoxy) propanol 28.25
    mesitylene 2.22
    ε-caprolactone 40.43
    p-cymene 2.2
    epichlorohydrin 63.05
    1,1,1-trichloroethane 8.48
    2-aminoethanol 137.12
    morpholine-4-carbaldehyde 122.72
    sulfolane 103.03
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 42.77
    n-hexyl acetate 14.46
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 34.6
    sec-butyl acetate 8.53
    tert-butyl acetate 13.32
    decalin 0.45
    glycerin 172.32
    diglyme 54.02
    acrylic acid 69.86
    isopropyl myristate 4.66
    n-butyric acid 54.52
    acetyl acetate 13.09
    di(2-ethylhexyl) phthalate 9.95
    ethyl propionate 13.05
    nitromethane 172.56
    1,2-diethoxyethane 11.32
    benzonitrile 12.56
    trioctyl phosphate 7.2
    1-bromopropane 6.77
    gamma-valerolactone 101.44
    n-decanol 7.09
    triethyl phosphate 6.7
    4-methyl-2-pentanol 15.17
    propionitrile 23.33
    vinylene carbonate 38.65
    1,1,2-trichlorotrifluoroethane 78.91
    DMS 13.42
    cumene 2.27
    2-octanol 9.41
    2-hexanone 17.58
    octyl acetate 7.61
    limonene 2.86
    1,2-dimethoxyethane 78.07
    ethyl orthosilicate 5.8
    tributyl phosphate 7.6
    diacetone alcohol 38.76
    N,N-dimethylaniline 9.39
    acrylonitrile 34.69
    aniline 11.3
    1,3-propanediol 122.63
    bromobenzene 2.69
    dibromomethane 13.02
    1,1,2,2-tetrachloroethane 22.16
    2-methyl-cyclohexyl acetate 8.78
    tetrabutyl urea 12.18
    diisobutyl methanol 4.64
    2-phenylethanol 15.59
    styrene 2.11
    dioctyl adipate 8.19
    dimethyl sulfate 42.85
    ethyl butyrate 8.73
    methyl lactate 45.7
    butyl lactate 17.41
    diethyl carbonate 6.36
    propanediol butyl ether 41.08
    triethyl orthoformate 6.52
    p-tert-butyltoluene 2.13
    methyl 4-tert-butylbenzoate 19.32
    morpholine 81.15
    tert-butylamine 19.76
    n-dodecanol 4.79
    dimethoxymethane 80.93
    ethylene carbonate 27.4
    cyrene 44.05
    2-ethoxyethyl acetate 14.35
    2-ethylhexyl acetate 7.24
    1,2,4-trichlorobenzene 7.27
    4-methylpyridine 23.97
    dibutyl ether 4.58
    2,6-dimethyl-4-heptanol 4.64
    DEF 43.18
    dimethyl isosorbide 37.32
    tetrachloroethylene 13.18
    eugenol 23.17
    triacetin 15.18
    span 80 23.98
    1,4-butanediol 59.07
    1,1-dichloroethane 12.93
    2-methyl-1-pentanol 28.55
    methyl formate 108.14
    2-methyl-1-butanol 42.62
    n-decane 0.57
    butyronitrile 23.69
    3,7-dimethyl-1-octanol 9.13
    1-chlorooctane 2.56
    1-chlorotetradecane 1.01
    n-nonane 0.52
    undecane 0.43
    tert-butylcyclohexane 0.55
    cyclooctane 0.21
    cyclopentanol 47.19
    tetrahydropyran 22.17
    tert-amyl methyl ether 14.7
    2,5,8-trioxanonane 38.46
    1-hexene 3.24
    2-isopropoxyethanol 47.98
    2,2,2-trifluoroethanol 84.12
    methyl butyrate 21.14

    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