Bromisoval

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  • Identifiers

    CAS number
    496-67-3

    Molecular formula
    C6H11BrN2O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 62.23%
    Cooling 41.09%
    Savory 33.25%
    Mint 28.95%
    Meaty 22.6%
    Cheesy 17.09%
    Bitter 16.85%
    Fishy 16.78%
    Cooked 16.62%
    Milky 16.28%

     

    Flavor
    Odorless 49.27%
    Bitter 29.95%
    Bland 27.05%
    Mild 27.0%
    Yeast 19.55%
    Cooked 19.36%
    Roasted 19.16%
    Sweet-like 19.14%
    Nitrile 18.97%
    Acrid 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.28 (neutral)

    Molecular weight
    223.07 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 143.88 ˚C est.

  • Synonyms

    • Bromisoval
    • 496-67-3
    • bromisovalum
    • bromovalerylurea
    • Bromvalerylurea
    • Bromural
    • 2-bromo-N-carbamoyl-3-methylbutanamide
    • Bromvaletone
    • Brovarin
    • Calmotin
    • Dagrabromyl
    • Dibroluur
    • Dormigene
    • Uvaleral
    • 1-(2-Bromoisovaleryl)urea
    • Upiol
    • Bromcarbamide
    • Bromocarbamide
    • Bromaral
    • Bromizoval
    • Alural
    • Bromisovalerylurea
    • 2-Bromo-3-methylbutyrylurea
    • Bromovalerocarbamide
    • Bromvaletonum
    • Bromvalurea
    • Brovalurea
    • Abroval
    • Alluval
    • Bromoval
    • Bromoxil
    • Bromuvan
    • Brovalin
    • Isobromyl
    • Pivadorm
    • Pivadorn
    • Somnurol
    • Bromisoval [INN]
    • Butanamide, N-(aminocarbonyl)-2-bromo-3-methyl-
    • Bromvalerocarbamidum
    • 2-Monobromoisovalerylurea
    • Monobromoisolvalerylurea
    • 2-Bromisovalerylmocovina
    • alpha-Bromoisovaleroylurea
    • .alpha.-Bromisovalerylurea
    • Bromisovalum [INN-Latin]
    • (alpha-Bromoisovaleryl)urea
    • Bromovaluree
    • Bromvalerylurea [JAN]
    • alpha-Bromoisovaleric acid ureide
    • 2-Bromisovalerylmocovina [Czech]
    • EINECS 207-825-7
    • alpha-Bromo-beta-dimethylpropanoylurea
    • N-(Aminocarbonyl)-2-bromo-3-methylbutanamide
    • Bromisoval (INN)
    • Bromural (TN)
    • Brovarin (TN)
    • Bromisovalum [NF]
    • BRN 1773255
    • Monobromoisovalerylurea
    • (2-bromo-3-methylbutanoyl)urea
    • 66101-52-8
    • DTXSID2040656
    • Bromovalerylurea (TN)
    • UREA, (2-BROMO-3-METHYLBUTYRYL)-
    • .alpha.-Bromoisovaleric acid ureide
    • BROMISOVALUM [MI]
    • 469GW8R486
    • BROMISOVAL [MART.]
    • BROMISOVAL [WHO-DD]
    • 2-bromo-N-carbamoyl-3-methyl-butanamide
    • BROMOVALERYLUREA [JAN]
    • DTXCID0020656
    • CHEBI:77043
    • 3-03-00-00123 (Beilstein Handbook Reference)
    • NCGC00160445-01
    • NCGC00160445-02
    • Bromoisovalum
    • Bromisovalum (INN-Latin)
    • BROMISOVAL (MART.)
    • .ALPHA.-BROMO-.BETA.-DIMETHYLPROPANOYLUREA
    • C6H11BrN2O2
    • Bromyl
    • Bromovalcarbamide
    • Bromovaleroylurea
    • Bromoisovalerylurea
    • CAS-496-67-3
    • B.V.U.
    • UNII-469GW8R486
    • MFCD00047873
    • Bromisoval (Standard)
    • alpha-Bromisovalerylurea
    • 2-Bromo-isovaleryl urea
    • (.+/-.)-Bromisoval
    • Bromovalerylurea (JP17)
    • Bromovalerylurea (JP18)
    • 1-(2-Bromisovaleryl)urea
    • (alpha-Bromoisovaleroyl)urea
    • (RS)-2-Bromoisovalerylurea
    • (.alpha.-Bromoisovaleryl)urea
    • SCHEMBL262870
    • (.alpha.-Bromoisovaleroyl)urea
    • CHEMBL1515611
    • SCHEMBL25366855
    • CHEBI:31304
    • HY-B2113R
    • N05CM03
    • HMS3886M19
    • N-(2-Bromo-3-methylbutanoyl)urea
    • BCP14648
    • HY-B2113
    • Tox21_111815
    • s5305
    • N-(2-Bromo-3-methylbutanoyl)urea #
    • AKOS001042611
    • Tox21_111815_1
    • CCG-266743
    • CS-7762
    • DB13370
    • FB38229
    • GS-3579
    • NCGC00160445-04
    • AC-32032
    • DB-071026
    • (alpha-bromo-beta,beta-dimethylpropanoyl)urea
    • B2842
    • NS00002006
    • EN300-06511

  • Applications

    Bromisoval (CAS 496-67-3) is primarily used as a chemical intermediate in organic synthesis, serving as a building block for specialty compounds. It can function as a solvent or processing aid in industrial manufacturing and as a reagent in polymer and plastics chemistry. In coatings, inks and adhesives, it may be employed as a reactive intermediate or formulational component under controlled conditions. Its use is typically subject to local regulations and formulation limits, and it may be considered for selective applications where an organobromine intermediate is required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.3
    methanol 46.62
    isopropanol 24.0
    water 9.07
    ethyl acetate 16.69
    n-propanol 22.28
    acetone 70.0
    n-butanol 20.34
    acetonitrile 23.18
    DMF 206.83
    toluene 2.92
    isobutanol 16.92
    1,4-dioxane 45.92
    methyl acetate 24.09
    THF 125.95
    2-butanone 33.26
    n-pentanol 15.84
    sec-butanol 16.09
    n-hexane 0.34
    ethylene glycol 23.73
    NMP 240.2
    cyclohexane 0.59
    DMSO 203.32
    n-butyl acetate 15.52
    n-octanol 6.4
    chloroform 9.33
    n-propyl acetate 14.51
    acetic acid 67.98
    dichloromethane 11.01
    cyclohexanone 56.76
    propylene glycol 39.1
    isopropyl acetate 12.83
    DMAc 184.67
    2-ethoxyethanol 35.53
    isopentanol 16.88
    n-heptane 0.48
    ethyl formate 25.48
    1,2-dichloroethane 9.06
    n-hexanol 14.87
    2-methoxyethanol 79.55
    isobutyl acetate 9.86
    tetrachloromethane 1.78
    n-pentyl acetate 12.14
    transcutol 33.14
    n-heptanol 8.63
    ethylbenzene 2.35
    MIBK 16.59
    2-propoxyethanol 49.43
    tert-butanol 27.0
    MTBE 7.7
    2-butoxyethanol 23.43
    propionic acid 36.94
    o-xylene 4.08
    formic acid 38.45
    diethyl ether 5.38
    m-xylene 3.83
    p-xylene 4.37
    chlorobenzene 6.25
    dimethyl carbonate 17.26
    n-octane 0.26
    formamide 55.29
    cyclopentanone 107.55
    2-pentanone 25.54
    anisole 10.59
    cyclopentyl methyl ether 20.57
    gamma-butyrolactone 121.3
    1-methoxy-2-propanol 64.99
    pyridine 25.66
    3-pentanone 15.67
    furfural 101.11
    n-dodecane 0.28
    diethylene glycol 53.91
    diisopropyl ether 2.15
    tert-amyl alcohol 18.42
    acetylacetone 49.39
    n-hexadecane 0.32
    acetophenone 21.27
    methyl propionate 22.97
    isopentyl acetate 14.42
    trichloroethylene 19.27
    n-nonanol 6.33
    cyclohexanol 17.95
    benzyl alcohol 20.65
    2-ethylhexanol 8.4
    isooctanol 7.11
    dipropyl ether 5.39
    1,2-dichlorobenzene 7.3
    ethyl lactate 20.78
    propylene carbonate 58.7
    n-methylformamide 69.61
    2-pentanol 10.6
    n-pentane 0.36
    1-propoxy-2-propanol 30.85
    1-methoxy-2-propyl acetate 26.5
    2-(2-methoxypropoxy) propanol 27.86
    mesitylene 2.78
    ε-caprolactone 52.17
    p-cymene 3.45
    epichlorohydrin 70.94
    1,1,1-trichloroethane 7.62
    2-aminoethanol 34.2
    morpholine-4-carbaldehyde 124.53
    sulfolane 194.54
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 38.58
    n-hexyl acetate 13.11
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 27.83
    sec-butyl acetate 9.07
    tert-butyl acetate 15.7
    decalin 0.53
    glycerin 58.97
    diglyme 40.01
    acrylic acid 41.44
    isopropyl myristate 5.81
    n-butyric acid 37.54
    acetyl acetate 17.05
    di(2-ethylhexyl) phthalate 14.29
    ethyl propionate 12.88
    nitromethane 96.82
    1,2-diethoxyethane 10.34
    benzonitrile 18.48
    trioctyl phosphate 9.84
    1-bromopropane 3.45
    gamma-valerolactone 141.69
    n-decanol 5.11
    triethyl phosphate 10.66
    4-methyl-2-pentanol 7.59
    propionitrile 14.76
    vinylene carbonate 43.09
    1,1,2-trichlorotrifluoroethane 62.91
    DMS 16.56
    cumene 2.5
    2-octanol 5.35
    2-hexanone 16.93
    octyl acetate 9.06
    limonene 4.62
    1,2-dimethoxyethane 49.03
    ethyl orthosilicate 8.57
    tributyl phosphate 10.1
    diacetone alcohol 41.33
    N,N-dimethylaniline 10.58
    acrylonitrile 25.25
    aniline 11.51
    1,3-propanediol 41.82
    bromobenzene 4.0
    dibromomethane 5.75
    1,1,2,2-tetrachloroethane 16.92
    2-methyl-cyclohexyl acetate 15.97
    tetrabutyl urea 17.37
    diisobutyl methanol 5.01
    2-phenylethanol 19.79
    styrene 2.63
    dioctyl adipate 13.15
    dimethyl sulfate 49.69
    ethyl butyrate 12.52
    methyl lactate 35.84
    butyl lactate 18.5
    diethyl carbonate 9.83
    propanediol butyl ether 23.94
    triethyl orthoformate 10.39
    p-tert-butyltoluene 3.26
    methyl 4-tert-butylbenzoate 24.32
    morpholine 55.79
    tert-butylamine 9.2
    n-dodecanol 3.91
    dimethoxymethane 52.14
    ethylene carbonate 32.95
    cyrene 57.67
    2-ethoxyethyl acetate 16.97
    2-ethylhexyl acetate 10.65
    1,2,4-trichlorobenzene 12.32
    4-methylpyridine 25.62
    dibutyl ether 3.37
    2,6-dimethyl-4-heptanol 5.01
    DEF 40.26
    dimethyl isosorbide 53.07
    tetrachloroethylene 8.62
    eugenol 28.26
    triacetin 19.37
    span 80 27.6
    1,4-butanediol 21.21
    1,1-dichloroethane 7.42
    2-methyl-1-pentanol 13.4
    methyl formate 54.53
    2-methyl-1-butanol 14.61
    n-decane 0.38
    butyronitrile 16.72
    3,7-dimethyl-1-octanol 6.77
    1-chlorooctane 1.91
    1-chlorotetradecane 1.0
    n-nonane 0.32
    undecane 0.32
    tert-butylcyclohexane 0.5
    cyclooctane 0.26
    cyclopentanol 34.1
    tetrahydropyran 19.09
    tert-amyl methyl ether 7.56
    2,5,8-trioxanonane 38.03
    1-hexene 1.54
    2-isopropoxyethanol 25.43
    2,2,2-trifluoroethanol 36.21
    methyl butyrate 21.45

    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