Dibromopropamidine isethionate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    614-87-9

    Molecular formula
    C19H24Br2N4O6S

    SMILES
    C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.65%
    Meaty 36.24%
    Savory 33.87%
    Roasted 26.12%
    Cooked 25.66%
    Burnt 22.96%
    Grape 20.66%
    Cooling 19.92%
    Bitter 19.76%
    Milky 18.09%

     

    Flavor
    Bitter 74.44%
    Odorless 36.75%
    Mild 27.3%
    Bland 21.63%
    Orange flower 20.41%
    Sweet-like 20.28%
    Nitrile 19.59%
    Orange blossom 19.38%
    Bread crust 18.99%
    Fruity 18.97%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    7.44 (neutral)

    Molecular weight
    596.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    859°C

    Flash point

    • 211.7 ˚C est.

  • Synonyms

    • DIBROMOPROPAMIDINE ISETHIONATE
    • DTXSID30210332
    • RefChem:132911
    • dibropropamidine isethionate
    • DTXCID30132823
    • 1,3-di(4-amidino-2-bromophenoxy)propane di-2-hydroxyethanesulfonate
    • 12Y597MO62
    • 614-87-9
    • Brolene
    • Brulidine
    • NSC-33424
    • NSC-528031
    • 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
    • SCHEMBL871570
    • CHEMBL3277938
    • NSC33424
    • NSC528031
    • AKOS032947667
    • 2-Hydroxyethane-1-sulfonic acid--4,4'-[propane-1,3-diylbis(oxy)]bis(3-bromobenzene-1-carboximidamide) (1/1)
    • 614-87-9

  • Applications

    Dibromopropamidine isethionate (CAS 614-87-9) may be used as an antimicrobial in pharmaceutical formulations, notably in ophthalmic solutions as an eye antiseptic; it may be used in topical dermatological products for antimicrobial purposes; in cosmetics and personal care, it may be evaluated as a preservative or antimicrobial additive; in cleaning and disinfection applications for healthcare or specialty industrial cleaners, it can serve as a disinfectant component; and it also serves as an intermediate in the synthesis of related diamidine antimicrobial agents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.03
    methanol 13.05
    isopropanol 6.28
    water 0.28
    ethyl acetate 8.57
    n-propanol 11.13
    acetone 15.28
    n-butanol 8.03
    acetonitrile 6.45
    DMF 81.06
    toluene 1.48
    isobutanol 6.28
    1,4-dioxane 12.86
    methyl acetate 10.56
    THF 66.52
    2-butanone 13.87
    n-pentanol 7.64
    sec-butanol 6.54
    n-hexane 0.3
    ethylene glycol 7.86
    NMP 84.96
    cyclohexane 0.34
    DMSO 85.51
    n-butyl acetate 6.89
    n-octanol 3.75
    chloroform 15.17
    n-propyl acetate 8.42
    acetic acid 29.98
    dichloromethane 16.3
    cyclohexanone 20.84
    propylene glycol 10.41
    isopropyl acetate 5.3
    DMAc 107.01
    2-ethoxyethanol 31.45
    isopentanol 5.06
    n-heptane 0.58
    ethyl formate 12.93
    1,2-dichloroethane 7.78
    n-hexanol 5.42
    2-methoxyethanol 42.96
    isobutyl acetate 4.84
    tetrachloromethane 1.73
    n-pentyl acetate 8.1
    transcutol 35.05
    n-heptanol 5.68
    ethylbenzene 0.9
    MIBK 5.11
    2-propoxyethanol 26.79
    tert-butanol 5.14
    MTBE 3.62
    2-butoxyethanol 20.15
    propionic acid 14.49
    o-xylene 1.26
    formic acid 26.59
    diethyl ether 4.8
    m-xylene 0.94
    p-xylene 1.31
    chlorobenzene 2.95
    dimethyl carbonate 16.24
    n-octane 0.27
    formamide 34.7
    cyclopentanone 45.49
    2-pentanone 10.28
    anisole 5.48
    cyclopentyl methyl ether 12.58
    gamma-butyrolactone 56.74
    1-methoxy-2-propanol 29.83
    pyridine 15.75
    3-pentanone 8.32
    furfural 46.82
    n-dodecane 0.18
    diethylene glycol 23.2
    diisopropyl ether 1.0
    tert-amyl alcohol 5.14
    acetylacetone 13.8
    n-hexadecane 0.2
    acetophenone 9.01
    methyl propionate 15.0
    isopentyl acetate 5.49
    trichloroethylene 19.41
    n-nonanol 4.14
    cyclohexanol 6.19
    benzyl alcohol 9.82
    2-ethylhexanol 3.36
    isooctanol 4.32
    dipropyl ether 5.99
    1,2-dichlorobenzene 3.31
    ethyl lactate 12.8
    propylene carbonate 25.85
    n-methylformamide 32.89
    2-pentanol 4.28
    n-pentane 0.34
    1-propoxy-2-propanol 19.38
    1-methoxy-2-propyl acetate 14.63
    2-(2-methoxypropoxy) propanol 16.62
    mesitylene 0.57
    ε-caprolactone 22.83
    p-cymene 1.2
    epichlorohydrin 43.08
    1,1,1-trichloroethane 4.14
    2-aminoethanol 13.93
    morpholine-4-carbaldehyde 63.46
    sulfolane 80.48
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 17.77
    n-hexyl acetate 6.83
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 20.26
    sec-butyl acetate 4.16
    tert-butyl acetate 5.34
    decalin 0.18
    glycerin 20.34
    diglyme 35.22
    acrylic acid 18.84
    isopropyl myristate 2.85
    n-butyric acid 16.3
    acetyl acetate 6.79
    di(2-ethylhexyl) phthalate 5.81
    ethyl propionate 7.67
    nitromethane 46.03
    1,2-diethoxyethane 9.92
    benzonitrile 6.61
    trioctyl phosphate 4.34
    1-bromopropane 3.78
    gamma-valerolactone 64.12
    n-decanol 3.03
    triethyl phosphate 6.35
    4-methyl-2-pentanol 2.2
    propionitrile 6.5
    vinylene carbonate 24.18
    1,1,2-trichlorotrifluoroethane 55.46
    DMS 9.58
    cumene 0.79
    2-octanol 3.1
    2-hexanone 7.91
    octyl acetate 4.75
    limonene 1.72
    1,2-dimethoxyethane 34.83
    ethyl orthosilicate 5.8
    tributyl phosphate 4.55
    diacetone alcohol 12.97
    N,N-dimethylaniline 5.46
    acrylonitrile 10.82
    aniline 6.83
    1,3-propanediol 15.45
    bromobenzene 2.07
    dibromomethane 8.22
    1,1,2,2-tetrachloroethane 15.42
    2-methyl-cyclohexyl acetate 7.18
    tetrabutyl urea 7.42
    diisobutyl methanol 1.75
    2-phenylethanol 7.74
    styrene 1.2
    dioctyl adipate 6.93
    dimethyl sulfate 33.29
    ethyl butyrate 7.79
    methyl lactate 22.25
    butyl lactate 12.34
    diethyl carbonate 6.42
    propanediol butyl ether 15.86
    triethyl orthoformate 8.33
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 12.4
    morpholine 27.85
    tert-butylamine 2.39
    n-dodecanol 2.13
    dimethoxymethane 44.72
    ethylene carbonate 17.65
    cyrene 30.48
    2-ethoxyethyl acetate 14.67
    2-ethylhexyl acetate 4.34
    1,2,4-trichlorobenzene 5.05
    4-methylpyridine 11.67
    dibutyl ether 3.29
    2,6-dimethyl-4-heptanol 1.75
    DEF 21.76
    dimethyl isosorbide 27.74
    tetrachloroethylene 9.77
    eugenol 14.81
    triacetin 13.6
    span 80 13.75
    1,4-butanediol 9.53
    1,1-dichloroethane 5.08
    2-methyl-1-pentanol 5.1
    methyl formate 28.16
    2-methyl-1-butanol 6.05
    n-decane 0.34
    butyronitrile 6.31
    3,7-dimethyl-1-octanol 2.78
    1-chlorooctane 1.36
    1-chlorotetradecane 0.57
    n-nonane 0.3
    undecane 0.24
    tert-butylcyclohexane 0.16
    cyclooctane 0.15
    cyclopentanol 13.24
    tetrahydropyran 10.26
    tert-amyl methyl ether 4.05
    2,5,8-trioxanonane 25.68
    1-hexene 1.29
    2-isopropoxyethanol 18.29
    2,2,2-trifluoroethanol 19.38
    methyl butyrate 11.27

    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