Hexamidine Diisethionate

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  • Identifiers

    CAS number
    659-40-5

    Molecular formula
    C24H38N4O10S2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 38.0%
    Savory 32.49%
    Odorless 31.52%
    Grape 30.25%
    Roasted 29.02%
    Cooked 26.18%
    Fruity 23.26%
    Burnt 22.54%
    Cooling 21.49%
    Animal 21.01%

     

    Flavor
    Bitter 47.48%
    Fruity 32.65%
    Sweet 28.04%
    Mild 27.2%
    Floral 26.94%
    Odorless 23.91%
    Orange flower 21.29%
    Petitgrain 21.12%
    Orange blossom 20.8%
    Powdery 20.72%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    7.97 (neutral)

    Molecular weight
    606.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    759°C

    Flash point

    • 194.89 ˚C est.

  • Synonyms

    • Hexamidine diisethionate
    • 659-40-5
    • Hexamidine isethionate
    • hexomedin
    • hexamidine isetionate
    • 023XA5Z50L
    • NSC-115848
    • RF-2535
    • DTXSID60984372
    • Laryngomedin N
    • Hexomedin N
    • RefChem:146090
    • DTXCID301764890
    • 211-533-5
    • Desomedine
    • 4,4'-(Hexane-1,6-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)
    • Hexomedine
    • Ophtamedine
    • Esomedina
    • Hexamidine diisetionate
    • 2-HYDROXYETHANESULPHONIC ACID, COMPOUND WITH 4,4'-[HEXANE-1,6-DIYLBIS(OXY)]BIS[BENZENECARBOXAMIDINE] (2:1)
    • 2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2
    • 2535 RP
    • RP 2535
    • 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
    • 2535 R. P.
    • Desmedine
    • UNII-023XA5Z50L
    • Hexamidin 2-hydroxyethansulfonat
    • 2-Hydroxyethanesulphonic acid, compound with 4,4'-(hexane-1,6-diylbis(oxy))bis(benzenecarboxamidine) (2:1)
    • EINECS 211-533-5
    • NSC 115848
    • Hexamidine disethionate
    • Hexamidine (diisethionate)
    • Hexamidine diisetionate CRS
    • SCHEMBL985947
    • orb3028293
    • NBVZMBLJRHUOJR-UHFFFAOYSA-N
    • C24H38N4O10S2
    • HEXAMIDINE ISETHIONATE [MI]
    • MFCD04112907
    • HEXAMIDINE ISETIONATE [MART.]
    • AKOS015896206
    • HEXAMIDINE ISETIONATE [WHO-DD]
    • EBC-128021
    • HY-136081A
    • AS-83166
    • FH147080
    • HEXAMIDINE DIISETIONATE [EP IMPURITY]
    • HEXAMIDINE DIISETIONATE [EP MONOGRAPH]
    • 659H405
    • Q27231489
    • 4,4'-(HEXAMETHYLENEDIOXY)DIBENZAMIDINE ISETHIONATE
    • 4,4'-(Hexane-1,6-diylbis(oxy))dibenzimidamidebis(2-hydroxyethanesulfonate)
    • 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine;2-hydroxyethanesulfonic acid
    • 4,4'-(HEXAMETHYLENEDIOXY)DIBENZAMIDINE BIS(2-HYDROXYETHANESULPHONATE)
    • bis(2-hydroxyethane-1-sulfonic acid); 4-{[6-(4-carbamimidoylphenoxy)hexyl]oxy}benzene-1-carboximidamide
    • 659-40-5

  • Applications

    Hexamidine Diisethionate (CAS 659-40-5) is an antimicrobial active ingredient used in cosmetics and personal care products; as a disinfectant active in household and industrial cleaning formulations; as an antimicrobial additive in coatings, inks, and polymer formulations; as a topical antiseptic ingredient in pharmaceutical preparations; and may be employed in industrial manufacturing for process water treatment as a biocide.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.71
    methanol 41.93
    isopropanol 8.68
    water 2.01
    ethyl acetate 13.43
    n-propanol 15.54
    acetone 22.77
    n-butanol 12.14
    acetonitrile 8.54
    DMF 86.56
    toluene 3.73
    isobutanol 7.84
    1,4-dioxane 20.28
    methyl acetate 13.51
    THF 92.6
    2-butanone 16.82
    n-pentanol 8.43
    sec-butanol 8.89
    n-hexane 0.63
    ethylene glycol 11.24
    NMP 86.21
    cyclohexane 0.87
    DMSO 248.29
    n-butyl acetate 5.14
    n-octanol 2.47
    chloroform 35.69
    n-propyl acetate 6.92
    acetic acid 63.82
    dichloromethane 37.05
    cyclohexanone 28.86
    propylene glycol 16.31
    isopropyl acetate 6.95
    DMAc 154.27
    2-ethoxyethanol 36.7
    isopentanol 7.31
    n-heptane 0.61
    ethyl formate 17.37
    1,2-dichloroethane 19.4
    n-hexanol 4.63
    2-methoxyethanol 64.39
    isobutyl acetate 3.7
    tetrachloromethane 4.89
    n-pentyl acetate 5.0
    transcutol 60.07
    n-heptanol 4.04
    ethylbenzene 1.45
    MIBK 6.23
    2-propoxyethanol 24.37
    tert-butanol 7.72
    MTBE 6.05
    2-butoxyethanol 17.03
    propionic acid 25.5
    o-xylene 2.62
    formic acid 72.84
    diethyl ether 7.46
    m-xylene 2.09
    p-xylene 1.93
    chlorobenzene 5.63
    dimethyl carbonate 19.53
    n-octane 0.27
    formamide 100.95
    cyclopentanone 53.18
    2-pentanone 13.13
    anisole 5.29
    cyclopentyl methyl ether 17.78
    gamma-butyrolactone 70.91
    1-methoxy-2-propanol 38.83
    pyridine 20.05
    3-pentanone 12.87
    furfural 54.62
    n-dodecane 0.17
    diethylene glycol 25.92
    diisopropyl ether 1.61
    tert-amyl alcohol 8.15
    acetylacetone 19.71
    n-hexadecane 0.19
    acetophenone 7.59
    methyl propionate 19.25
    isopentyl acetate 4.77
    trichloroethylene 39.1
    n-nonanol 2.88
    cyclohexanol 10.49
    benzyl alcohol 8.84
    2-ethylhexanol 2.66
    isooctanol 3.15
    dipropyl ether 5.18
    1,2-dichlorobenzene 6.16
    ethyl lactate 10.9
    propylene carbonate 29.52
    n-methylformamide 53.28
    2-pentanol 5.8
    n-pentane 0.61
    1-propoxy-2-propanol 14.29
    1-methoxy-2-propyl acetate 12.05
    2-(2-methoxypropoxy) propanol 14.16
    mesitylene 1.17
    ε-caprolactone 25.31
    p-cymene 1.21
    epichlorohydrin 57.21
    1,1,1-trichloroethane 9.7
    2-aminoethanol 22.5
    morpholine-4-carbaldehyde 57.68
    sulfolane 106.33
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 21.62
    n-hexyl acetate 4.85
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 19.37
    sec-butyl acetate 3.9
    tert-butyl acetate 6.77
    decalin 0.37
    glycerin 39.47
    diglyme 42.56
    acrylic acid 33.16
    isopropyl myristate 2.08
    n-butyric acid 27.94
    acetyl acetate 12.09
    di(2-ethylhexyl) phthalate 4.06
    ethyl propionate 7.63
    nitromethane 96.04
    1,2-diethoxyethane 10.32
    benzonitrile 5.8
    trioctyl phosphate 2.89
    1-bromopropane 6.44
    gamma-valerolactone 67.73
    n-decanol 2.03
    triethyl phosphate 6.42
    4-methyl-2-pentanol 2.97
    propionitrile 7.84
    vinylene carbonate 28.66
    1,1,2-trichlorotrifluoroethane 78.04
    DMS 8.71
    cumene 1.1
    2-octanol 2.08
    2-hexanone 6.91
    octyl acetate 3.24
    limonene 1.78
    1,2-dimethoxyethane 39.32
    ethyl orthosilicate 6.12
    tributyl phosphate 3.73
    diacetone alcohol 13.73
    N,N-dimethylaniline 4.57
    acrylonitrile 12.5
    aniline 11.0
    1,3-propanediol 26.85
    bromobenzene 4.6
    dibromomethane 17.41
    1,1,2,2-tetrachloroethane 34.64
    2-methyl-cyclohexyl acetate 5.28
    tetrabutyl urea 5.0
    diisobutyl methanol 1.64
    2-phenylethanol 6.0
    styrene 1.87
    dioctyl adipate 4.87
    dimethyl sulfate 45.33
    ethyl butyrate 6.16
    methyl lactate 26.63
    butyl lactate 8.66
    diethyl carbonate 5.75
    propanediol butyl ether 12.47
    triethyl orthoformate 7.73
    p-tert-butyltoluene 1.16
    methyl 4-tert-butylbenzoate 9.94
    morpholine 35.14
    tert-butylamine 3.56
    n-dodecanol 1.43
    dimethoxymethane 53.73
    ethylene carbonate 22.79
    cyrene 23.33
    2-ethoxyethyl acetate 11.1
    2-ethylhexyl acetate 3.62
    1,2,4-trichlorobenzene 8.8
    4-methylpyridine 12.89
    dibutyl ether 3.02
    2,6-dimethyl-4-heptanol 1.64
    DEF 26.66
    dimethyl isosorbide 23.67
    tetrachloroethylene 23.58
    eugenol 11.56
    triacetin 12.08
    span 80 10.85
    1,4-butanediol 11.19
    1,1-dichloroethane 10.79
    2-methyl-1-pentanol 5.84
    methyl formate 41.75
    2-methyl-1-butanol 8.24
    n-decane 0.33
    butyronitrile 7.31
    3,7-dimethyl-1-octanol 2.16
    1-chlorooctane 1.22
    1-chlorotetradecane 0.49
    n-nonane 0.29
    undecane 0.23
    tert-butylcyclohexane 0.3
    cyclooctane 0.36
    cyclopentanol 16.2
    tetrahydropyran 16.37
    tert-amyl methyl ether 6.2
    2,5,8-trioxanonane 27.34
    1-hexene 1.85
    2-isopropoxyethanol 17.02
    2,2,2-trifluoroethanol 37.17
    methyl butyrate 10.46

    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