Carbromal

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  • Identifiers

    CAS number
    77-65-6

    Molecular formula
    C7H13BrN2O2

    SMILES
    CCC(CC)(C(=O)NC(=O)N)Br

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 53.46%
    Cooling 44.04%
    Mint 32.5%
    Savory 30.43%
    Meaty 20.04%
    Cheesy 18.33%
    Fishy 18.14%
    Fresh 17.46%
    Bitter 16.72%
    Milky 16.3%

     

    Flavor
    Odorless 42.89%
    Bitter 29.91%
    Bland 27.09%
    Mild 25.25%
    Cooked 20.33%
    Roasted 20.28%
    Sweet-like 19.19%
    Taco 18.98%
    Yeast 18.88%
    Nitrile 18.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.91 (neutral)

    Molecular weight
    237.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Melting point expt.

    • 244 °F (NTP, 1992)
    • 116-119 °C

    Flash point

    • 144.57 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • 1 G DISSOLVES IN ABOUT 3000 ML WATER, 18 ML ALCOHOL, 3 ML CHLOROFORM, 14 ML ETHER; VERY SOL IN BOILING ALCOHOL; DISSOLVES IN CONCN SULFURIC, NITRIC & HCL ACIDS; DISSOLVED BY SOLN OF ALKALI HYDROXIDES
    • SOL IN ACETONE & BENZENE

  • Synonyms

    • CARBROMAL
    • 77-65-6
    • Adalin
    • Diacid
    • Hoggar
    • (2-Bromo-2-ethylbutyryl)urea
    • Bromadal
    • Bromacetocarbamide
    • Bromodiethylacetylurea
    • Addisomnol
    • Dormiturin
    • Pianadalin
    • Planadalin
    • Fydalin
    • Karbromal
    • Kartryl
    • Nenesin
    • Parkosed
    • Pelidorm
    • 2-bromo-N-carbamoyl-2-ethylbutanamide
    • Nyctal
    • Tildin
    • Uradal
    • Bromdiethylacetylurea
    • Mirfudorm
    • Persomnin
    • Servadorm
    • Thalambrol
    • Somben
    • Bromodiethylacetylcarbamide
    • Bromacetocarbamidum
    • Carbromalum
    • Bromadel
    • Butanamide, N-(aminocarbonyl)-2-bromo-2-ethyl-
    • 1-Bromo-ethyl-butyryl-urea
    • Carbromalum [INN-Latin]
    • 2-Bromo-2-ethylbutyrylurea
    • NCI-C03805
    • Urea, (2-bromo-2-ethylbutyryl)-
    • CCRIS 124
    • 2-Brom-2-ethylbutyrylmocovina
    • NSC 49191
    • N-(Aminocarbonyl)-2-bromo-2-ethylbutanamide
    • Adisomnol
    • HSDB 4100
    • (2-Brom-2-ethylbutyryl)harnstoff
    • 2-bromo-2-ethylbutyryurea
    • EINECS 201-046-6
    • Carbromal (INN)
    • NSC-49191
    • UNII-0Y299JY9V3
    • 2-Brom-2-ethylbutyrylmocovina [Czech]
    • BRN 1775637
    • Carbromal [INN:BAN:DCF:NF]
    • DTXSID8020252
    • AI3-51262
    • Carbrital (Salt/Mix)
    • 0Y299JY9V3
    • CARBROMAL [INN]
    • CARBROMAL [MI]
    • CARBROMAL [HSDB]
    • CARBROMAL [MART.]
    • CARBROMAL [WHO-DD]
    • DTXCID80252
    • Urea, (2-bromo-ethylbutyryl)-
    • .alpha.-Bromo-.alpha.-ethylbutyrylurea
    • (.alpha.-Bromo-.alpha.-ethylbutyryl)urea
    • (.alpha.-Ethyl-.alpha.-bromobutyryl)urea
    • Carbromalum (INN-Latin)
    • Butanamide, N-aminocarbonyl-2-bromo-2-ethyl-
    • CARBROMAL (MART.)
    • (.alpha.-Bromo-.alpha.-ethylbutyryl)carbamide
    • Adalin; Adisomnol; Bromacetocarbamide; Bromadal
    • WLN: ZVMVXE2&2
    • .alpha.-Ethyl-.alpha.-bromobutyrylurea
    • alpha-Ethyl-alpha-bromobutyrylurea
    • (alpha-Bromo-alpha-ethylbutyryl)urea
    • (alpha-Bromo-alpha-ethylbutyryl)carbamide
    • Adalin (TN)
    • SCHEMBL261
    • (2-bromo-2-ethylbutanoyl)urea
    • CHEMBL1697828
    • N05CM04
    • NSC9916
    • CHEBI:134961
    • N-(2-Bromo-2-ethylbutanoyl)urea
    • ALBB-036461
    • HY-B1594
    • NSC-9916
    • NSC49191
    • (alpha-Ethyl-alpha-bromobutyryl)urea
    • Tox21_302247
    • N-(2-Bromo-2-ethylbutanoyl)urea #
    • AKOS027383909
    • DB13817
    • CAS-77-65-6
    • ALPHA-BROMO-ALPHA-ETHYLBUTYRYLUREA
    • NCGC00255200-01
    • (ALPHA-BROMO-ALPHA-ETHYLBUTYRL)UREA
    • DB-056237
    • CS-0013511
    • NS00003897
    • D02619
    • Q382185
    • SR-01000883968
    • SR-01000883968-1
    • N-(AMINOCARBONYL)-2-BROMO-2-ETHYL-BUTANAMIDE
    • 201-046-6

  • Applications

    Carbromal (CAS 77-65-6) is primarily used as an organic synthesis intermediate in the brominated chemicals sector, typically serving as a precursor to downstream brominated intermediates for specialty products such as dyes and related compounds. It may function as a solvent or processing aid in certain formulations and as a reactive intermediate in polymer chemistry for brominated monomers or additives. In perfumery and cosmetics, it has been explored as an odorant or fixative component; in coatings and inks, it can be used as an intermediate to introduce bromine functionality. In agricultural chemistry, it may be evaluated for the synthesis of agrochemical intermediates. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 68.93
    methanol 98.99
    isopropanol 63.5
    water 5.43
    ethyl acetate 51.65
    n-propanol 52.83
    acetone 201.52
    n-butanol 42.91
    acetonitrile 60.97
    DMF 509.27
    toluene 18.35
    isobutanol 38.89
    1,4-dioxane 176.29
    methyl acetate 76.33
    THF 318.0
    2-butanone 115.68
    n-pentanol 32.75
    sec-butanol 47.06
    n-hexane 0.67
    ethylene glycol 27.57
    NMP 433.21
    cyclohexane 1.73
    DMSO 403.47
    n-butyl acetate 35.81
    n-octanol 14.86
    chloroform 51.97
    n-propyl acetate 33.39
    acetic acid 77.79
    dichloromethane 55.74
    cyclohexanone 158.23
    propylene glycol 46.75
    isopropyl acetate 40.33
    DMAc 422.05
    2-ethoxyethanol 72.07
    isopentanol 35.5
    n-heptane 0.86
    ethyl formate 60.2
    1,2-dichloroethane 42.8
    n-hexanol 29.53
    2-methoxyethanol 141.3
    isobutyl acetate 24.92
    tetrachloromethane 8.28
    n-pentyl acetate 29.24
    transcutol 49.3
    n-heptanol 17.25
    ethylbenzene 10.14
    MIBK 45.92
    2-propoxyethanol 84.87
    tert-butanol 70.87
    MTBE 37.23
    2-butoxyethanol 41.25
    propionic acid 56.95
    o-xylene 18.22
    formic acid 46.77
    diethyl ether 25.55
    m-xylene 16.36
    p-xylene 19.42
    chlorobenzene 29.41
    dimethyl carbonate 46.82
    n-octane 0.73
    formamide 89.78
    cyclopentanone 272.01
    2-pentanone 75.43
    anisole 38.26
    cyclopentyl methyl ether 61.55
    gamma-butyrolactone 270.08
    1-methoxy-2-propanol 114.16
    pyridine 90.59
    3-pentanone 56.45
    furfural 188.88
    n-dodecane 0.87
    diethylene glycol 76.79
    diisopropyl ether 7.67
    tert-amyl alcohol 48.98
    acetylacetone 124.82
    n-hexadecane 1.03
    acetophenone 53.8
    methyl propionate 62.61
    isopentyl acetate 33.99
    trichloroethylene 78.8
    n-nonanol 14.67
    cyclohexanol 42.8
    benzyl alcohol 44.2
    2-ethylhexanol 16.54
    isooctanol 14.44
    dipropyl ether 12.5
    1,2-dichlorobenzene 30.04
    ethyl lactate 31.07
    propylene carbonate 117.01
    n-methylformamide 134.47
    2-pentanol 26.05
    n-pentane 0.85
    1-propoxy-2-propanol 50.0
    1-methoxy-2-propyl acetate 56.61
    2-(2-methoxypropoxy) propanol 42.8
    mesitylene 10.63
    ε-caprolactone 113.4
    p-cymene 9.05
    epichlorohydrin 166.16
    1,1,1-trichloroethane 38.1
    2-aminoethanol 47.32
    morpholine-4-carbaldehyde 267.59
    sulfolane 372.87
    2,2,4-trimethylpentane 1.05
    2-methyltetrahydrofuran 121.86
    n-hexyl acetate 32.68
    isooctane 0.77
    2-(2-butoxyethoxy)ethanol 42.42
    sec-butyl acetate 24.18
    tert-butyl acetate 47.0
    decalin 1.53
    glycerin 64.83
    diglyme 72.72
    acrylic acid 56.39
    isopropyl myristate 15.06
    n-butyric acid 62.48
    acetyl acetate 44.61
    di(2-ethylhexyl) phthalate 25.73
    ethyl propionate 31.38
    nitromethane 171.15
    1,2-diethoxyethane 27.4
    benzonitrile 47.7
    trioctyl phosphate 18.72
    1-bromopropane 17.37
    gamma-valerolactone 304.77
    n-decanol 11.87
    triethyl phosphate 21.87
    4-methyl-2-pentanol 16.85
    propionitrile 45.82
    vinylene carbonate 93.7
    1,1,2-trichlorotrifluoroethane 107.95
    DMS 42.18
    cumene 8.56
    2-octanol 13.28
    2-hexanone 45.99
    octyl acetate 21.26
    limonene 12.78
    1,2-dimethoxyethane 121.17
    ethyl orthosilicate 18.44
    tributyl phosphate 19.3
    diacetone alcohol 77.26
    N,N-dimethylaniline 31.62
    acrylonitrile 60.81
    aniline 39.77
    1,3-propanediol 68.54
    bromobenzene 23.36
    dibromomethane 30.14
    1,1,2,2-tetrachloroethane 67.47
    2-methyl-cyclohexyl acetate 32.15
    tetrabutyl urea 32.74
    diisobutyl methanol 10.62
    2-phenylethanol 41.52
    styrene 11.73
    dioctyl adipate 26.73
    dimethyl sulfate 117.04
    ethyl butyrate 27.8
    methyl lactate 54.85
    butyl lactate 29.97
    diethyl carbonate 22.57
    propanediol butyl ether 34.85
    triethyl orthoformate 22.43
    p-tert-butyltoluene 9.33
    methyl 4-tert-butylbenzoate 47.5
    morpholine 166.87
    tert-butylamine 28.16
    n-dodecanol 9.39
    dimethoxymethane 145.77
    ethylene carbonate 73.46
    cyrene 83.11
    2-ethoxyethyl acetate 39.99
    2-ethylhexyl acetate 26.55
    1,2,4-trichlorobenzene 42.44
    4-methylpyridine 98.36
    dibutyl ether 10.17
    2,6-dimethyl-4-heptanol 10.62
    DEF 99.12
    dimethyl isosorbide 87.61
    tetrachloroethylene 34.24
    eugenol 47.03
    triacetin 38.23
    span 80 40.57
    1,4-butanediol 32.34
    1,1-dichloroethane 41.67
    2-methyl-1-pentanol 28.36
    methyl formate 115.7
    2-methyl-1-butanol 32.23
    n-decane 1.25
    butyronitrile 47.55
    3,7-dimethyl-1-octanol 15.07
    1-chlorooctane 6.32
    1-chlorotetradecane 3.23
    n-nonane 1.01
    undecane 1.02
    tert-butylcyclohexane 1.43
    cyclooctane 0.68
    cyclopentanol 75.29
    tetrahydropyran 83.28
    tert-amyl methyl ether 29.3
    2,5,8-trioxanonane 62.55
    1-hexene 3.95
    2-isopropoxyethanol 48.54
    2,2,2-trifluoroethanol 47.46
    methyl butyrate 46.85

    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