Carbamazepine

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  • Identifiers

    CAS number
    298-46-4

    Molecular formula
    C15H12N2O

    SMILES
    C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 43.4%
    Grape 37.21%
    Odorless 35.02%
    Neroli 26.56%
    Floral 26.39%
    Animal 24.74%
    Bitter 23.95%
    Cooked 22.26%
    Honey 21.29%
    Citrus 20.68%

     

    Flavor
    Bitter 73.64%
    Odorless 28.29%
    Nitrile 21.87%
    Animal 21.85%
    Very strong 21.57%
    Indole 21.23%
    Moth ball 20.47%
    Naphthelene 20.25%
    Orange flower 20.18%
    Bread crust 20.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.05 (neutral)

    Molecular weight
    236.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 189-192
    • 190.2 °C

    Boiling point

    • 399.6±45.0

    Flash point

    • 232.75 ˚C est.

    Solubility expt.

    • Sol in alcohol, acetone, propylene glycol; practically insol in water
    • Soluble in chloroform, dimethylformamide, ethylene glycol monomethyl ether, or methanol; only slightly soluble in ethanol or glacial acetic acid
    • 1.52e-01 g/L
    • >35.4 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • carbamazepine
    • 298-46-4
    • Tegretol
    • Carbamazepen
    • 5H-Dibenz[b,f]azepine-5-carboxamide
    • Finlepsin
    • Tegretal
    • Biston
    • Equetro
    • Telesmin
    • Carbazepine
    • Timonil
    • Carbamezepine
    • Karbamazepin
    • Carbatrol
    • Neurotol
    • Stazepine
    • Epitol
    • Carbamazepin
    • Tegretol-Xr
    • Carbamazepina
    • Carbamazepinum
    • Teril
    • Geigy 32883
    • Carnexiv
    • Sirtal
    • benzo[b][1]benzazepine-11-carboxamide
    • 5-Carbamyl-5H-dibenzo(b,f)azepine
    • 5-Carbamoyl-5H-dibenzo(b,f)azepine
    • 5H-Dibenz(b,f)azepine-5-carboxamide
    • G-32883
    • 5-Carbamoyl-5H-dibenz(b,f)azepine
    • Karbelex
    • Neurotop
    • Carbamazepine Anhydrous
    • 5-Carbamoyl-5H-dibenz[b,f]azepine
    • G 32883
    • Carbamazepine extended release
    • NSC-169864
    • CHEBI:3387
    • DTXSID4022731
    • NSC169864
    • 33CM23913M
    • DTXCID902731
    • 5-20-08-00247 (Beilstein Handbook Reference)
    • Tegretol XR
    • benzo(b)(1)benzazepine-11-carboxamide
    • 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2-carboxamide
    • Epimaz
    • Carbagen sr
    • Epimaz ret
    • Sirtal ret
    • Tegretol chewtab
    • Teril ret
    • Arbil mr
    • Carbamazepine ER
    • 2-azatricyclo(9.4.0.0^(3,8))pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2-carboxamide
    • Timonil 200 ret
    • Timonil 400 ret
    • RefChem:5646
    • Tegretol prolonged release
    • N03AF01
    • 5H-Dibenzo(b,f)azepin-5-carboxamide
    • 2-azatricyclo(9.4.0.03,8)pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
    • 206-062-7
    • Carbamat
    • 5H-Dibenzo[b,f]azepine-5-carboxamide
    • Lexin
    • Amizepin
    • Bipotrol
    • Calepsin
    • MFCD00005073
    • Trimonil
    • NSC 169864
    • CHEMBL108
    • 5-Carbamyldibenzo(b,f)azepine
    • MLS000069652
    • 5-Carbamoyldibenzo(b,f)azepine
    • CBZ
    • Stazepin
    • dibenzo[b,f]azepine-5-carboxamide
    • s1693
    • NCGC00015234-11
    • CAS-298-46-4
    • SMR000058201
    • 5H-dibenzo[b,f]azepine-5-carboxamide;Oxcarbazepine IMpurity A
    • Carbelan
    • Tegretol Cr
    • Carbamazepinum [INN-Latin]
    • Carbamazepina [INN-Spanish]
    • SMR001227191
    • HSDB 3019
    • SR-01000000229
    • Carbatrol extended-release
    • EINECS 206-062-7
    • BRN 1246090
    • Carbmazepine
    • Neurotop retard
    • Carbamazepine?
    • Carbagamma;
    • Neurotop;
    • Tegretol;
    • Atretol;
    • Carbium;
    • Prozine;
    • Timonil;
    • Carbamazepine RS
    • Epimaz;
    • Epitol;
    • Sirtal;
    • UNII-33CM23913M
    • Carba;
    • Teril;
    • Carbamazepine CRS
    • Tegretol (TN)
    • N6W
    • Prestwick_104
    • Equetro (TN)
    • Carbamazepine, powder
    • Opera_ID_72
    • Spectrum_000096
    • Carbamazepine [USAN:USP:INN:BAN:JAN]
    • Carbamazepine (Standard)
    • Prestwick0_000052
    • Prestwick1_000052
    • Prestwick2_000052
    • Prestwick3_000052
    • 298-46-4

  • Applications

    Carbamazepine (CAS 298-46-4) is primarily used as an active pharmaceutical ingredient (API) for central nervous system disorders. It is commonly prescribed as an anticonvulsant for epilepsy and as a mood stabilizer for bipolar disorder, with additional use in certain neuropathic pain conditions. In drug discovery and development, it serves as a chemical scaffold and starting material for developing related CNS-active compounds. In pharmaceutical manufacturing, it is used in formulations and quality-control studies as a reference for polymorphism, stability, and excipient compatibility. Its use is governed by GMP and applicable regulatory guidelines, and remains subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.84
    methanol 14.73
    isopropanol 4.95
    water 0.06
    ethyl acetate 11.13
    n-propanol 8.39
    acetone 25.4
    n-butanol 6.07
    acetonitrile 12.01
    DMF 275.9
    toluene 2.54
    isobutanol 5.1
    1,4-dioxane 44.07
    methyl acetate 22.16
    THF 42.86
    2-butanone 22.31
    n-pentanol 7.78
    sec-butanol 4.06
    n-hexane 0.17
    ethylene glycol 14.72
    NMP 183.95
    cyclohexane 0.23
    DMSO 233.86
    n-butyl acetate 13.43
    n-octanol 5.61
    chloroform 173.92
    n-propyl acetate 12.68
    acetic acid 18.95
    dichloromethane 110.53
    cyclohexanone 38.96
    propylene glycol 8.49
    isopropyl acetate 7.2
    DMAc 168.04
    2-ethoxyethanol 20.59
    isopentanol 5.43
    n-heptane 0.38
    ethyl formate 24.37
    1,2-dichloroethane 54.99
    n-hexanol 10.12
    2-methoxyethanol 43.15
    isobutyl acetate 8.58
    tetrachloromethane 5.35
    n-pentyl acetate 12.06
    transcutol 10.32
    n-heptanol 8.59
    ethylbenzene 3.89
    MIBK 8.48
    2-propoxyethanol 28.53
    tert-butanol 5.42
    MTBE 2.77
    2-butoxyethanol 18.53
    propionic acid 18.52
    o-xylene 3.08
    formic acid 15.97
    diethyl ether 3.75
    m-xylene 2.49
    p-xylene 5.53
    chlorobenzene 14.11
    dimethyl carbonate 29.44
    n-octane 0.35
    formamide 35.62
    cyclopentanone 80.25
    2-pentanone 12.71
    anisole 12.41
    cyclopentyl methyl ether 8.21
    gamma-butyrolactone 101.19
    1-methoxy-2-propanol 20.39
    pyridine 51.5
    3-pentanone 12.72
    furfural 90.74
    n-dodecane 0.58
    diethylene glycol 32.11
    diisopropyl ether 1.12
    tert-amyl alcohol 4.19
    acetylacetone 21.82
    n-hexadecane 0.69
    acetophenone 21.11
    methyl propionate 21.65
    isopentyl acetate 12.41
    trichloroethylene 133.81
    n-nonanol 6.06
    cyclohexanol 5.18
    benzyl alcohol 16.61
    2-ethylhexanol 7.33
    isooctanol 7.05
    dipropyl ether 4.97
    1,2-dichlorobenzene 18.05
    ethyl lactate 15.53
    propylene carbonate 41.19
    n-methylformamide 81.16
    2-pentanol 2.48
    n-pentane 0.11
    1-propoxy-2-propanol 13.95
    1-methoxy-2-propyl acetate 17.99
    2-(2-methoxypropoxy) propanol 14.8
    mesitylene 2.05
    ε-caprolactone 34.32
    p-cymene 4.65
    epichlorohydrin 91.87
    1,1,1-trichloroethane 19.42
    2-aminoethanol 16.46
    morpholine-4-carbaldehyde 108.94
    sulfolane 145.11
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 15.53
    n-hexyl acetate 11.69
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 14.34
    sec-butyl acetate 7.15
    tert-butyl acetate 7.3
    decalin 0.57
    glycerin 23.11
    diglyme 27.64
    acrylic acid 27.4
    isopropyl myristate 6.71
    n-butyric acid 16.61
    acetyl acetate 10.95
    di(2-ethylhexyl) phthalate 11.37
    ethyl propionate 11.9
    nitromethane 58.74
    1,2-diethoxyethane 7.75
    benzonitrile 22.96
    trioctyl phosphate 9.22
    1-bromopropane 10.35
    gamma-valerolactone 94.87
    n-decanol 5.35
    triethyl phosphate 11.05
    4-methyl-2-pentanol 2.6
    propionitrile 14.16
    vinylene carbonate 48.55
    1,1,2-trichlorotrifluoroethane 85.87
    DMS 21.0
    cumene 3.69
    2-octanol 4.87
    2-hexanone 13.99
    octyl acetate 9.51
    limonene 5.07
    1,2-dimethoxyethane 40.53
    ethyl orthosilicate 9.18
    tributyl phosphate 9.34
    diacetone alcohol 14.23
    N,N-dimethylaniline 11.08
    acrylonitrile 32.06
    aniline 9.01
    1,3-propanediol 15.22
    bromobenzene 13.14
    dibromomethane 49.43
    1,1,2,2-tetrachloroethane 104.56
    2-methyl-cyclohexyl acetate 13.71
    tetrabutyl urea 14.73
    diisobutyl methanol 3.69
    2-phenylethanol 18.78
    styrene 4.91
    dioctyl adipate 11.68
    dimethyl sulfate 65.84
    ethyl butyrate 10.74
    methyl lactate 26.13
    butyl lactate 13.02
    diethyl carbonate 11.06
    propanediol butyl ether 11.5
    triethyl orthoformate 9.91
    p-tert-butyltoluene 3.72
    methyl 4-tert-butylbenzoate 18.85
    morpholine 42.31
    tert-butylamine 2.43
    n-dodecanol 4.61
    dimethoxymethane 56.28
    ethylene carbonate 34.42
    cyrene 33.33
    2-ethoxyethyl acetate 16.26
    2-ethylhexyl acetate 10.73
    1,2,4-trichlorobenzene 24.79
    4-methylpyridine 26.19
    dibutyl ether 4.01
    2,6-dimethyl-4-heptanol 3.69
    DEF 30.4
    dimethyl isosorbide 29.12
    tetrachloroethylene 53.71
    eugenol 22.72
    triacetin 15.57
    span 80 14.49
    1,4-butanediol 9.72
    1,1-dichloroethane 24.4
    2-methyl-1-pentanol 7.42
    methyl formate 64.86
    2-methyl-1-butanol 4.93
    n-decane 0.69
    butyronitrile 11.59
    3,7-dimethyl-1-octanol 4.71
    1-chlorooctane 3.79
    1-chlorotetradecane 2.32
    n-nonane 0.49
    undecane 0.62
    tert-butylcyclohexane 0.48
    cyclooctane 0.11
    cyclopentanol 10.47
    tetrahydropyran 14.02
    tert-amyl methyl ether 3.05
    2,5,8-trioxanonane 24.65
    1-hexene 1.31
    2-isopropoxyethanol 12.97
    2,2,2-trifluoroethanol 16.56
    methyl butyrate 18.29

    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