Polyquaternium 1

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  • Identifiers

    CAS number
    75345-27-6

    Molecular formula
    C22H48Cl3N3O6

    SMILES
    C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-]

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 43.57%
    Fresh 31.43%
    Odorless 29.17%
    Fishy 26.79%
    Floral 26.16%
    Oily 25.49%
    Woody 24.6%
    Animal 21.67%
    Citrus 20.73%
    Waxy 20.58%

     

    Flavor
    Odorless 30.3%
    Mild 29.21%
    Sulfurous 28.4%
    Bitter 28.22%
    Bland 24.29%
    Sweet-like 20.63%
    Yeasty 20.43%
    Mouldy 19.95%
    Rose acetate 19.71%
    Glue 19.58%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.83 (weak acid)

    Molecular weight
    557.0 g/mol

    Flash point

    • 51.79 ˚C est.

  • Synonyms

    • RefChem:929839
    • DTXCID301511398
    • DTXSID701027149
    • 688-145-1
    • Polidronium chloride
    • 75345-27-6
    • dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium;trichloride
    • SCHEMBL329104
    • C22H48Cl3N3O6
    • CHEBI:32025
    • Polidronium chloride (JAN/INN)
    • OTIWYSKRSMXGNK-VHJGTCNUSA-K
    • [(E)-4-[dimethyl-[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azaniumyl]but-2-enyl]-tris(2-hydroxyethyl)azanium trichloride
    • AS-83276
    • FP163582
    • DB-248423
    • NS00013989
    • D01912
    • A937800
    • Q1493560
    • dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)ammonio]but-2-enyl]ammonium;trichloride
    • 75345-27-6

  • Applications

    Polyquaternium 1 (CAS 75345-27-6) is a cationic polymer widely used as a conditioning agent, thickener, and rheology modifier in cosmetics and personal care, improving detangling, softness, and slip in shampoos and conditioners. It is also used in household textiles and fabric care as a fabric-softening/anti-static component in laundry and finishing formulations. In papermaking and pulp processing, it functions as a retention aid and flocculant to improve drainage and filler retention. In water treatment and process streams it can act as a flocculant/coagulant aid, helping clarify suspensions. In coatings and inks, it may serve as a rheology modifier or binder to control viscosity and pigment dispersion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.41
    methanol 8.2
    isopropanol 0.35
    water 15.3
    ethyl acetate 0.37
    n-propanol 1.2
    acetone 0.19
    n-butanol 0.65
    acetonitrile 0.16
    DMF 8.19
    toluene 0.19
    isobutanol 0.59
    1,4-dioxane 0.56
    methyl acetate 0.42
    THF 1.17
    2-butanone 0.44
    n-pentanol 0.46
    sec-butanol 0.55
    n-hexane 0.06
    ethylene glycol 4.2
    NMP 37.13
    cyclohexane 0.11
    DMSO 12.83
    n-butyl acetate 0.3
    n-octanol 0.37
    chloroform 1.24
    n-propyl acetate 0.33
    acetic acid 6.9
    dichloromethane 1.31
    cyclohexanone 1.57
    propylene glycol 3.66
    isopropyl acetate 0.23
    DMAc 13.94
    2-ethoxyethanol 3.26
    isopentanol 0.33
    n-heptane 0.13
    ethyl formate 0.69
    1,2-dichloroethane 0.72
    n-hexanol 0.42
    2-methoxyethanol 6.61
    isobutyl acetate 0.19
    tetrachloromethane 0.43
    n-pentyl acetate 0.38
    transcutol 5.02
    n-heptanol 0.61
    ethylbenzene 0.12
    MIBK 0.19
    2-propoxyethanol 2.78
    tert-butanol 0.26
    MTBE 0.14
    2-butoxyethanol 2.47
    propionic acid 3.22
    o-xylene 0.29
    formic acid 36.52
    diethyl ether 0.2
    m-xylene 0.19
    p-xylene 0.14
    chlorobenzene 0.16
    dimethyl carbonate 1.09
    n-octane 0.06
    formamide 22.9
    cyclopentanone 2.02
    2-pentanone 0.32
    anisole 0.19
    cyclopentyl methyl ether 1.03
    gamma-butyrolactone 4.68
    1-methoxy-2-propanol 3.06
    pyridine 0.83
    3-pentanone 0.55
    furfural 4.74
    n-dodecane 0.02
    diethylene glycol 4.4
    diisopropyl ether 0.07
    tert-amyl alcohol 0.54
    acetylacetone 0.42
    n-hexadecane 0.02
    acetophenone 0.54
    methyl propionate 1.12
    isopentyl acetate 0.26
    trichloroethylene 1.59
    n-nonanol 0.37
    cyclohexanol 1.03
    benzyl alcohol 0.6
    2-ethylhexanol 0.3
    isooctanol 0.42
    dipropyl ether 0.42
    1,2-dichlorobenzene 0.28
    ethyl lactate 1.42
    propylene carbonate 2.01
    n-methylformamide 6.43
    2-pentanol 0.32
    n-pentane 0.07
    1-propoxy-2-propanol 1.77
    1-methoxy-2-propyl acetate 1.02
    2-(2-methoxypropoxy) propanol 1.79
    mesitylene 0.12
    ε-caprolactone 2.61
    p-cymene 0.19
    epichlorohydrin 1.94
    1,1,1-trichloroethane 0.32
    2-aminoethanol 6.22
    morpholine-4-carbaldehyde 12.19
    sulfolane 20.51
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 0.74
    n-hexyl acetate 0.38
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 2.25
    sec-butyl acetate 0.23
    tert-butyl acetate 0.23
    decalin 0.06
    glycerin 14.73
    diglyme 3.72
    acrylic acid 5.2
    isopropyl myristate 0.11
    n-butyric acid 2.07
    acetyl acetate 0.37
    di(2-ethylhexyl) phthalate 0.35
    ethyl propionate 0.51
    nitromethane 4.1
    1,2-diethoxyethane 0.43
    benzonitrile 0.24
    trioctyl phosphate 0.27
    1-bromopropane 0.31
    gamma-valerolactone 5.89
    n-decanol 0.23
    triethyl phosphate 0.73
    4-methyl-2-pentanol 0.17
    propionitrile 0.24
    vinylene carbonate 2.16
    1,1,2-trichlorotrifluoroethane 13.61
    DMS 0.77
    cumene 0.11
    2-octanol 0.26
    2-hexanone 0.26
    octyl acetate 0.2
    limonene 0.3
    1,2-dimethoxyethane 1.46
    ethyl orthosilicate 0.66
    tributyl phosphate 0.3
    diacetone alcohol 0.86
    N,N-dimethylaniline 0.4
    acrylonitrile 0.5
    aniline 0.56
    1,3-propanediol 3.26
    bromobenzene 0.13
    dibromomethane 0.73
    1,1,2,2-tetrachloroethane 1.66
    2-methyl-cyclohexyl acetate 0.48
    tetrabutyl urea 0.53
    diisobutyl methanol 0.16
    2-phenylethanol 0.5
    styrene 0.11
    dioctyl adipate 0.27
    dimethyl sulfate 5.42
    ethyl butyrate 0.44
    methyl lactate 3.76
    butyl lactate 1.3
    diethyl carbonate 0.35
    propanediol butyl ether 2.73
    triethyl orthoformate 0.63
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 1.34
    morpholine 1.61
    tert-butylamine 0.15
    n-dodecanol 0.14
    dimethoxymethane 1.96
    ethylene carbonate 1.45
    cyrene 5.33
    2-ethoxyethyl acetate 0.69
    2-ethylhexyl acetate 0.27
    1,2,4-trichlorobenzene 0.45
    4-methylpyridine 0.53
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.16
    DEF 2.06
    dimethyl isosorbide 3.19
    tetrachloroethylene 1.85
    eugenol 1.46
    triacetin 1.24
    span 80 1.87
    1,4-butanediol 1.49
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.32
    methyl formate 3.03
    2-methyl-1-butanol 0.63
    n-decane 0.05
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.08
    cyclopentanol 1.32
    tetrahydropyran 0.47
    tert-amyl methyl ether 0.33
    2,5,8-trioxanonane 2.5
    1-hexene 0.11
    2-isopropoxyethanol 1.28
    2,2,2-trifluoroethanol 8.04
    methyl butyrate 0.64

    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