Mci-186

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  • Identifiers

    CAS number
    89-25-8

    Molecular formula
    C10H10N2O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 45.79%
    Roasted 43.42%
    Popcorn 35.5%
    Burnt 32.24%
    Caramellic 27.38%
    Sweet 26.69%
    Cooked 25.45%
    Odorless 24.89%
    Musty 23.92%
    Fruity 23.33%

     

    Flavor
    Bitter 54.23%
    Roasted 31.02%
    Nutty 27.79%
    Roast 22.09%
    Taco 22.02%
    Bread crust 21.93%
    Roasted peanuts 21.34%
    Cereal 21.04%
    Nitrile 20.78%
    Scallion 20.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.32 (neutral)

    Molecular weight
    174.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 261 to 266 °F (NTP, 1992)
    • 129.7
    • 127 °C

    Boiling point

    • 549 °F at 105 mmHg (NTP, 1992)
    • 287
    • 191 °C @ 17 MM HG; 287 °C @ 105 MM HG

    Flash point

    • 145.73 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • SOL IN HOT WATER & HOT ALCOHOL; SLIGHTLY SOL IN BENZENE; INSOL IN PETROLEUM ETHER
    • 25.4 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • MCI-186
    • MCI 186
    • RefChem:57584
    • edaravone
    • 89-25-8
    • 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE
    • Radicut
    • Norphenazone
    • 1-Phenyl-3-methyl-5-pyrazolone
    • Developer Z
    • Methylphenylpyrazolone
    • Norantipyrine
    • C.I. Developer 1
    • Phenyl methyl pyrazolone
    • Phenylmethylpyrazolone
    • Radicava
    • 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one
    • 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
    • 3-Methyl-1-phenyl-2-pyrazoline-5-one
    • 5-methyl-2-phenyl-4H-pyrazol-3-one
    • 1-Phenyl-3-methyl-5-oxo-2-pyrazoline
    • 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-
    • 1-Phenyl-3-methylpyrazolone
    • 2-Pyrazolin-5-one, 3-methyl-1-phenyl-
    • MFCD00003138
    • 1-Phenyl-3-methylpyrazolone-5
    • 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
    • Edaravone (MCI-186)
    • 3-Methyl-1-phenylpyrazol-5-one
    • NCI-C03952
    • 5-Pyrazolone, 3-methyl-1-phenyl-
    • Colorex pmp
    • Jarocol pmp
    • NSC-2629
    • 1-Fenyl-3-methyl-2-pyrazolin-5-on
    • NSC-26139
    • 3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
    • DTXSID9021130
    • S798V6YJRP
    • MLS000069602
    • 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE (MCI-186)
    • CHEBI:31530
    • s1326
    • CI Developer 1
    • NCGC00164015-01
    • SMR000059020
    • Edaravone [INN]
    • DTXCID201130
    • Monopyrazolone
    • WLN: T5NMV DHJ BR& E1
    • CAS-89-25-8
    • CCRIS 512
    • Radicut (TN)
    • HSDB 4102
    • 3H-Pyrazol-3-one,4-dihydro-5-methyl-2-phenyl-
    • SR-01000000135
    • 1-Fenyl-3-methyl-2-pyrazolin-5-on [Czech]
    • EINECS 201-891-0
    • UNII-S798V6YJRP
    • BRN 0609575
    • edaravona
    • 3-?Methyl-?1-?phenyl-?2-?pyrazolin-?5-?one(Edaravone)
    • AI3-03557
    • MCI186
    • (Edaravone)
    • Radicava (TN)
    • (MCI-186)
    • Edaravone (Standard)
    • CDS1_000986
    • Spectrum_000267
    • Tocris-0786
    • EDARAVONE [JAN]
    • MCI-186; Edaravone
    • Edaravone [USAN:INN]
    • EDARAVONE [HSDB]
    • EDARAVONE [USAN]
    • Maybridge1_005738
    • Opera_ID_1057
    • Spectrum2_001574
    • Spectrum3_000971
    • Spectrum4_001091
    • Spectrum5_001217
    • NORPHENAZONE [MI]
    • Phenazone impurity A CRS
    • M0687
    • EDARAVONE [MART.]
    • EC 201-891-0
    • EDARAVONE [WHO-DD]
    • SCHEMBL4704
    • BSPBio_001235
    • BSPBio_002601
    • KBioGR_000575
    • KBioGR_001502
    • KBioSS_000575
    • KBioSS_000747
    • AE-641/00371017
    • MLS001146878
    • MLS002415675
    • MLS006011753
    • DivK1c_001018
    • DivK1c_002026
    • SCHEMBL148321
    • SPECTRUM1503635
    • SPBio_001508
    • CHEMBL290916
    • orb1310644
    • SCHEMBL4099403
    • SCHEMBL8935505
    • SCHEMBL9439001
    • 1-pheny-3-methyl-5-pyrazolone
    • Edaravone (USAN/JP18/INN)
    • EDARAVONE [ORANGE BOOK]
    • BCBcMAP01_000127
    • GTPL11994
    • HMS503K17
    • HMS557M18
    • HY-B0099R
    • KBio1_001018
    • KBio2_000575
    • KBio2_000747
    • KBio2_003143
    • KBio2_003315
    • KBio2_005711
    • KBio2_005883
    • KBio3_001029
    • KBio3_001030
    • KBio3_001821
    • 89-25-8

  • Applications

    Mci-186 (CAS 89-25-8) is a small-molecule pharmaceutical compound primarily used in the pharmaceutical sector as an active pharmaceutical ingredient (API) and as a research chemical. In industry, it is commonly evaluated as an antioxidant and free radical scavenger in formulation development and stability assessments. It can serve as a reference standard or synthetic intermediate for related compounds. In medicinal chemistry research, it is used as a tool compound to study oxidative stress pathways.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.57
    methanol 108.99
    isopropanol 50.49
    water 1.35
    ethyl acetate 44.41
    n-propanol 72.41
    acetone 79.26
    n-butanol 58.84
    acetonitrile 52.97
    DMF 268.49
    toluene 25.32
    isobutanol 46.52
    1,4-dioxane 84.82
    methyl acetate 55.04
    THF 123.07
    2-butanone 73.3
    n-pentanol 49.9
    sec-butanol 46.32
    n-hexane 0.98
    ethylene glycol 52.23
    NMP 206.93
    cyclohexane 2.5
    DMSO 238.77
    n-butyl acetate 32.11
    n-octanol 30.49
    chloroform 243.83
    n-propyl acetate 35.33
    acetic acid 98.26
    dichloromethane 214.44
    cyclohexanone 113.85
    propylene glycol 56.67
    isopropyl acetate 26.3
    DMAc 223.31
    2-ethoxyethanol 70.3
    isopentanol 43.3
    n-heptane 1.62
    ethyl formate 63.8
    1,2-dichloroethane 101.57
    n-hexanol 38.5
    2-methoxyethanol 125.31
    isobutyl acetate 20.77
    tetrachloromethane 13.29
    n-pentyl acetate 25.79
    transcutol 165.65
    n-heptanol 22.24
    ethylbenzene 22.98
    MIBK 35.97
    2-propoxyethanol 79.39
    tert-butanol 39.35
    MTBE 20.86
    2-butoxyethanol 46.51
    propionic acid 64.69
    o-xylene 22.48
    formic acid 56.76
    diethyl ether 21.69
    m-xylene 22.68
    p-xylene 28.15
    chlorobenzene 68.31
    dimethyl carbonate 45.31
    n-octane 1.37
    formamide 71.11
    cyclopentanone 140.35
    2-pentanone 51.37
    anisole 62.74
    cyclopentyl methyl ether 40.58
    gamma-butyrolactone 156.23
    1-methoxy-2-propanol 86.52
    pyridine 109.69
    3-pentanone 40.97
    furfural 199.22
    n-dodecane 2.72
    diethylene glycol 90.72
    diisopropyl ether 6.84
    tert-amyl alcohol 34.01
    acetylacetone 74.19
    n-hexadecane 3.06
    acetophenone 71.68
    methyl propionate 53.01
    isopentyl acetate 33.89
    trichloroethylene 230.11
    n-nonanol 27.54
    cyclohexanol 40.5
    benzyl alcohol 67.91
    2-ethylhexanol 24.41
    isooctanol 19.4
    dipropyl ether 17.87
    1,2-dichlorobenzene 74.95
    ethyl lactate 47.5
    propylene carbonate 107.06
    n-methylformamide 104.76
    2-pentanol 27.87
    n-pentane 1.13
    1-propoxy-2-propanol 47.66
    1-methoxy-2-propyl acetate 51.99
    2-(2-methoxypropoxy) propanol 69.13
    mesitylene 13.97
    ε-caprolactone 91.0
    p-cymene 17.04
    epichlorohydrin 163.92
    1,1,1-trichloroethane 61.23
    2-aminoethanol 73.06
    morpholine-4-carbaldehyde 179.04
    sulfolane 202.32
    2,2,4-trimethylpentane 1.73
    2-methyltetrahydrofuran 62.73
    n-hexyl acetate 44.54
    isooctane 1.29
    2-(2-butoxyethoxy)ethanol 79.8
    sec-butyl acetate 23.51
    tert-butyl acetate 28.91
    decalin 3.84
    glycerin 82.3
    diglyme 118.85
    acrylic acid 82.83
    isopropyl myristate 23.42
    n-butyric acid 69.05
    acetyl acetate 39.21
    di(2-ethylhexyl) phthalate 37.67
    ethyl propionate 38.79
    nitromethane 138.23
    1,2-diethoxyethane 37.78
    benzonitrile 83.5
    trioctyl phosphate 24.4
    1-bromopropane 40.31
    gamma-valerolactone 174.2
    n-decanol 23.24
    triethyl phosphate 28.75
    4-methyl-2-pentanol 19.09
    propionitrile 49.51
    vinylene carbonate 124.39
    1,1,2-trichlorotrifluoroethane 138.08
    DMS 57.75
    cumene 18.61
    2-octanol 16.34
    2-hexanone 41.45
    octyl acetate 31.73
    limonene 20.63
    1,2-dimethoxyethane 92.68
    ethyl orthosilicate 24.46
    tributyl phosphate 28.9
    diacetone alcohol 51.47
    N,N-dimethylaniline 47.13
    acrylonitrile 84.93
    aniline 50.68
    1,3-propanediol 76.63
    bromobenzene 66.91
    dibromomethane 121.12
    1,1,2,2-tetrachloroethane 159.75
    2-methyl-cyclohexyl acetate 39.75
    tetrabutyl urea 40.4
    diisobutyl methanol 15.3
    2-phenylethanol 56.35
    styrene 30.83
    dioctyl adipate 40.51
    dimethyl sulfate 87.75
    ethyl butyrate 33.87
    methyl lactate 64.55
    butyl lactate 38.25
    diethyl carbonate 32.99
    propanediol butyl ether 60.26
    triethyl orthoformate 26.9
    p-tert-butyltoluene 14.93
    methyl 4-tert-butylbenzoate 59.59
    morpholine 88.8
    tert-butylamine 21.47
    n-dodecanol 19.2
    dimethoxymethane 92.26
    ethylene carbonate 83.98
    cyrene 84.14
    2-ethoxyethyl acetate 39.86
    2-ethylhexyl acetate 26.62
    1,2,4-trichlorobenzene 89.47
    4-methylpyridine 92.7
    dibutyl ether 22.37
    2,6-dimethyl-4-heptanol 15.3
    DEF 72.88
    dimethyl isosorbide 98.84
    tetrachloroethylene 88.58
    eugenol 72.42
    triacetin 62.48
    span 80 57.7
    1,4-butanediol 47.19
    1,1-dichloroethane 79.33
    2-methyl-1-pentanol 42.05
    methyl formate 94.35
    2-methyl-1-butanol 43.95
    n-decane 3.32
    butyronitrile 52.46
    3,7-dimethyl-1-octanol 29.08
    1-chlorooctane 18.02
    1-chlorotetradecane 9.92
    n-nonane 2.71
    undecane 2.98
    tert-butylcyclohexane 3.4
    cyclooctane 0.99
    cyclopentanol 55.39
    tetrahydropyran 54.41
    tert-amyl methyl ether 21.61
    2,5,8-trioxanonane 102.35
    1-hexene 8.29
    2-isopropoxyethanol 45.3
    2,2,2-trifluoroethanol 48.86
    methyl butyrate 54.69

    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