2-Hydroxyethanesulphonic acid, compound with 4,4'-(hexane-1,6-diylbis(oxy))bis(3-bromobenzenecarboxamidine) (2:1)

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  • Identifiers

    CAS number
    93856-83-8

    Molecular formula
    C24H36Br2N4O10S2

    SMILES
    C1=CC(=C(C=C1C(=N)N)Br)OCCCCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

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  • Odor profile

    Fragrance
    Odorless 44.33%
    Meaty 37.41%
    Savory 34.8%
    Roasted 26.96%
    Cooked 25.1%
    Burnt 23.24%
    Cooling 22.68%
    Grape 22.34%
    Animal 19.68%
    Bitter 19.66%

     

    Flavor
    Bitter 68.1%
    Odorless 33.5%
    Mild 27.04%
    Bland 21.99%
    Orange flower 20.46%
    Sweet-like 20.13%
    Nitrile 19.65%
    Fruity 19.36%
    Orange blossom 19.33%
    Petitgrain 19.31%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    8.41 (weak base)

    Molecular weight
    764.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    903°C

    Flash point

    • 220.62 ˚C est.

  • Synonyms

    • EINECS 299-116-4
    • 2-Hydroxyethanesulphonic acid, compound with 4,4'-(hexane-1,6-diylbis(oxy))bis(3-bromobenzenecarboxamidine) (2:1)
    • 2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[3-bromobenzenecarboxamidine] (2:1)
    • RefChem:473420
    • 299-116-4
    • 93856-83-8
    • SCHEMBL985038
    • SCHEMBL20528835
    • DTXSID20150576
    • 2-Hydroxyethane-1-sulfonic acid--4,4'-[hexane-1,6-diylbis(oxy)]bis(3-bromobenzene-1-carboximidamide) (2/1)
    • 93856-83-8

  • Applications

    2-Hydroxyethanesulphonic acid, compound with 4,4'-(hexane-1,6-diylbis(oxy))bis(3-bromobenzenecarboxamidine) (2:1); CAS number: 93856-83-8; is used as a synthetic building block in specialty chemistry, serving as an intermediate in the preparation of functional polymers and dye/pigment chemistries. The molecule can act as a crosslinking or coupling reagent due to the amidine groups, enabling functionalization of coatings, inks, and adhesives. Its sulfonic acid moiety provides water solubility and can function as a stabilizing, chelating, or surfactant-like additive in aqueous formulations, improving dispersion and formulation stability. It may be employed as a processing solvent or processing aid in industrial aqueous formulations, and it may be considered for cosmetics/personal care formulations as a functional polymer-compatibility or surfactant-like additive, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.74
    methanol 7.46
    isopropanol 4.25
    water 0.13
    ethyl acetate 8.64
    n-propanol 7.48
    acetone 11.42
    n-butanol 6.48
    acetonitrile 3.26
    DMF 58.7
    toluene 2.62
    isobutanol 5.11
    1,4-dioxane 11.24
    methyl acetate 9.19
    THF 63.99
    2-butanone 12.38
    n-pentanol 6.49
    sec-butanol 5.76
    n-hexane 0.4
    ethylene glycol 3.24
    NMP 84.5
    cyclohexane 0.46
    DMSO 40.46
    n-butyl acetate 6.78
    n-octanol 3.25
    chloroform 28.76
    n-propyl acetate 8.16
    acetic acid 22.84
    dichloromethane 23.6
    cyclohexanone 23.21
    propylene glycol 5.93
    isopropyl acetate 6.25
    DMAc 106.65
    2-ethoxyethanol 22.2
    isopentanol 4.79
    n-heptane 0.56
    ethyl formate 10.53
    1,2-dichloroethane 10.65
    n-hexanol 4.66
    2-methoxyethanol 27.79
    isobutyl acetate 5.02
    tetrachloromethane 3.71
    n-pentyl acetate 9.1
    transcutol 31.94
    n-heptanol 5.04
    ethylbenzene 1.33
    MIBK 5.79
    2-propoxyethanol 21.68
    tert-butanol 4.35
    MTBE 4.19
    2-butoxyethanol 18.12
    propionic acid 12.82
    o-xylene 2.02
    formic acid 14.81
    diethyl ether 4.63
    m-xylene 1.67
    p-xylene 1.84
    chlorobenzene 4.41
    dimethyl carbonate 15.15
    n-octane 0.28
    formamide 18.96
    cyclopentanone 45.53
    2-pentanone 10.59
    anisole 5.44
    cyclopentyl methyl ether 15.32
    gamma-butyrolactone 55.37
    1-methoxy-2-propanol 22.52
    pyridine 15.48
    3-pentanone 9.4
    furfural 41.73
    n-dodecane 0.18
    diethylene glycol 15.28
    diisopropyl ether 1.19
    tert-amyl alcohol 5.47
    acetylacetone 14.07
    n-hexadecane 0.2
    acetophenone 9.0
    methyl propionate 15.21
    isopentyl acetate 5.9
    trichloroethylene 29.25
    n-nonanol 3.67
    cyclohexanol 6.96
    benzyl alcohol 9.11
    2-ethylhexanol 3.31
    isooctanol 4.03
    dipropyl ether 5.29
    1,2-dichlorobenzene 4.93
    ethyl lactate 11.2
    propylene carbonate 26.49
    n-methylformamide 20.44
    2-pentanol 4.14
    n-pentane 0.43
    1-propoxy-2-propanol 15.72
    1-methoxy-2-propyl acetate 14.56
    2-(2-methoxypropoxy) propanol 15.04
    mesitylene 0.94
    ε-caprolactone 25.3
    p-cymene 1.42
    epichlorohydrin 41.95
    1,1,1-trichloroethane 8.01
    2-aminoethanol 7.45
    morpholine-4-carbaldehyde 56.27
    sulfolane 74.44
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 18.43
    n-hexyl acetate 7.54
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 17.87
    sec-butyl acetate 4.68
    tert-butyl acetate 6.39
    decalin 0.26
    glycerin 12.41
    diglyme 33.36
    acrylic acid 15.88
    isopropyl myristate 2.91
    n-butyric acid 16.44
    acetyl acetate 7.76
    di(2-ethylhexyl) phthalate 5.55
    ethyl propionate 7.85
    nitromethane 30.93
    1,2-diethoxyethane 9.13
    benzonitrile 6.02
    trioctyl phosphate 4.16
    1-bromopropane 5.15
    gamma-valerolactone 60.69
    n-decanol 2.64
    triethyl phosphate 6.25
    4-methyl-2-pentanol 2.47
    propionitrile 4.51
    vinylene carbonate 24.82
    1,1,2-trichlorotrifluoroethane 59.31
    DMS 10.09
    cumene 1.06
    2-octanol 3.05
    2-hexanone 7.87
    octyl acetate 4.6
    limonene 2.08
    1,2-dimethoxyethane 26.56
    ethyl orthosilicate 6.04
    tributyl phosphate 4.64
    diacetone alcohol 12.73
    N,N-dimethylaniline 5.43
    acrylonitrile 7.23
    aniline 8.01
    1,3-propanediol 9.54
    bromobenzene 3.55
    dibromomethane 12.9
    1,1,2,2-tetrachloroethane 24.86
    2-methyl-cyclohexyl acetate 7.26
    tetrabutyl urea 7.0
    diisobutyl methanol 1.77
    2-phenylethanol 7.5
    styrene 1.66
    dioctyl adipate 6.48
    dimethyl sulfate 31.8
    ethyl butyrate 7.08
    methyl lactate 18.91
    butyl lactate 12.88
    diethyl carbonate 5.78
    propanediol butyl ether 13.39
    triethyl orthoformate 8.02
    p-tert-butyltoluene 1.45
    methyl 4-tert-butylbenzoate 12.77
    morpholine 23.36
    tert-butylamine 2.37
    n-dodecanol 1.88
    dimethoxymethane 34.79
    ethylene carbonate 18.34
    cyrene 27.31
    2-ethoxyethyl acetate 15.62
    2-ethylhexyl acetate 4.96
    1,2,4-trichlorobenzene 7.39
    4-methylpyridine 12.84
    dibutyl ether 3.2
    2,6-dimethyl-4-heptanol 1.77
    DEF 21.93
    dimethyl isosorbide 25.88
    tetrachloroethylene 15.78
    eugenol 14.35
    triacetin 14.02
    span 80 13.02
    1,4-butanediol 5.94
    1,1-dichloroethane 8.29
    2-methyl-1-pentanol 5.21
    methyl formate 17.76
    2-methyl-1-butanol 5.83
    n-decane 0.33
    butyronitrile 4.74
    3,7-dimethyl-1-octanol 2.69
    1-chlorooctane 1.47
    1-chlorotetradecane 0.59
    n-nonane 0.3
    undecane 0.23
    tert-butylcyclohexane 0.24
    cyclooctane 0.21
    cyclopentanol 12.64
    tetrahydropyran 11.05
    tert-amyl methyl ether 4.92
    2,5,8-trioxanonane 23.08
    1-hexene 1.63
    2-isopropoxyethanol 14.36
    2,2,2-trifluoroethanol 17.62
    methyl butyrate 10.99

    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