Hydroxypropyl bis(N-hydroxyethyl-p-phenylenediamine) hydrochloride

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  • Identifiers

    CAS number
    128729-28-2

    Molecular formula
    C19H32Cl4N4O3

    SMILES
    C1=CC(=CC=C1N)N(CCO)CC(CN(CCO)C2=CC=C(C=C2)N)O.Cl.Cl.Cl.Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 39.48%
    Fishy 38.44%
    Sweet 34.55%
    Animal 28.25%
    Savory 25.32%
    Cheesy 24.84%
    Meaty 24.05%
    Ripe 23.54%
    Grape 22.08%
    Bitter 19.71%

     

    Flavor
    Odorless 46.95%
    Bitter 42.41%
    Mild 36.72%
    Sweet-like 23.5%
    Bland 21.66%
    Fruity 21.23%
    Sweet 20.71%
    Orange flower 20.08%
    Orange blossom 19.71%
    Nitrile 19.67%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.92 (weak acid)

    Molecular weight
    506.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1953°C

    Flash point

    • 327.44 ˚C est.

  • Synonyms

    • 128729-28-2
    • Imexine OAX
    • Hydroxypropyl bis(N-hydroxyethyl-p-phenylenediamine) hydrochloride
    • Hydroxypropyl bis(N-hydroxyethyl-p-phenylenediamine) HCl
    • UNII-0K832J58E7
    • 0K832J58E7
    • DTXSID30155976
    • 2-Propanol, 1,3-bis((4-aminophenyl)(2-hydroxyethyl)amino)-, tetrahydrochloride
    • 1,3-Bis-((4-amino-phenyl)-(2-hydroxy-ethyl)-amino)-propan-2-ol, tetrahydrochloride
    • 2-Propanol, 1,3-bis((4-aminophenyl)(2-hydroxyethyl)amino)-, hydrochloride (1:4)
    • RefChem:147262
    • DTXCID4078467
    • HYDROXYPROPYL BIS(N-HYDROXYETHYL-P-PHENYLENEDIAMINE) HCL [INCI]
    • 416-320-2
    • 2,2'-((2-Hydroxypropane-1,3-diyl)bis((4-aminophenyl)azanediyl))diethanol tetrahydrochloride
    • 1,3-bis[4-amino-N-(2-hydroxyethyl)anilino]propan-2-ol;tetrahydrochloride
    • Hydroxypropyl bis (N-Hydroxyethyl-p-phenylenediamine Hydrochloride) (>90%)
    • 1,3-bis[(4-Aminophenyl)(2-hydroxyethyl)amino]-2-propanol Tetrahydrochloride
    • starbld0005085
    • SCHEMBL5582429
    • GATCALZBQPZIFW-UHFFFAOYSA-N
    • NS00078544
    • Q27236897
    • Hydroxypropyl bis (N-Hydroxyethyl-p-phenylenediamine Hydrochloride)
    • 1,3-Bis[(4-aminophenyl)(2-hydroxyethyl)amino]propan-2-ol--hydrogen chloride (1/4)
    • 128729-28-2

  • Applications

    Real-world applications of Hydroxypropyl bis(N-hydroxyethyl-p-phenylenediamine) hydrochloride include: (1) in polymers and coatings as a curing and crosslinking agent for epoxy and polyurethane systems to increase durability and heat resistance; (2) as a stabilizer and antioxidant in plastic, resin, and coating formulations to extend service life; (3) as an intermediate for the synthesis of colorants and cosmetic dyes in the cosmetics and hair-care sectors, owing to the p-phenylenediamine framework; and (4) as a chelating agent in cleaning formulations and industrial processes to bind metals and improve performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.68
    methanol 11.19
    isopropanol 0.7
    water 18.73
    ethyl acetate 0.92
    n-propanol 1.73
    acetone 1.22
    n-butanol 1.03
    acetonitrile 1.22
    DMF 25.89
    toluene 0.31
    isobutanol 0.67
    1,4-dioxane 2.21
    methyl acetate 0.77
    THF 5.91
    2-butanone 1.04
    n-pentanol 0.87
    sec-butanol 0.58
    n-hexane 0.05
    ethylene glycol 12.51
    NMP 39.99
    cyclohexane 0.1
    DMSO 135.96
    n-butyl acetate 0.4
    n-octanol 0.29
    chloroform 1.02
    n-propyl acetate 0.58
    acetic acid 28.42
    dichloromethane 1.29
    cyclohexanone 3.27
    propylene glycol 8.16
    isopropyl acetate 0.44
    DMAc 37.91
    2-ethoxyethanol 11.16
    isopentanol 0.55
    n-heptane 0.11
    ethyl formate 2.45
    1,2-dichloroethane 0.96
    n-hexanol 0.58
    2-methoxyethanol 24.78
    isobutyl acetate 0.27
    tetrachloromethane 0.35
    n-pentyl acetate 0.34
    transcutol 7.57
    n-heptanol 0.58
    ethylbenzene 0.17
    MIBK 0.43
    2-propoxyethanol 6.01
    tert-butanol 0.54
    MTBE 0.16
    2-butoxyethanol 3.57
    propionic acid 4.34
    o-xylene 0.28
    formic acid 108.98
    diethyl ether 0.39
    m-xylene 0.21
    p-xylene 0.24
    chlorobenzene 0.35
    dimethyl carbonate 2.41
    n-octane 0.05
    formamide 81.93
    cyclopentanone 6.61
    2-pentanone 0.89
    anisole 0.49
    cyclopentyl methyl ether 1.51
    gamma-butyrolactone 12.56
    1-methoxy-2-propanol 7.78
    pyridine 2.81
    3-pentanone 1.0
    furfural 15.75
    n-dodecane 0.02
    diethylene glycol 14.09
    diisopropyl ether 0.09
    tert-amyl alcohol 0.45
    acetylacetone 2.16
    n-hexadecane 0.02
    acetophenone 1.18
    methyl propionate 1.86
    isopentyl acetate 0.35
    trichloroethylene 1.91
    n-nonanol 0.35
    cyclohexanol 0.98
    benzyl alcohol 1.54
    2-ethylhexanol 0.32
    isooctanol 0.38
    dipropyl ether 0.63
    1,2-dichlorobenzene 0.43
    ethyl lactate 2.19
    propylene carbonate 4.32
    n-methylformamide 17.37
    2-pentanol 0.35
    n-pentane 0.05
    1-propoxy-2-propanol 2.6
    1-methoxy-2-propyl acetate 1.41
    2-(2-methoxypropoxy) propanol 2.7
    mesitylene 0.12
    ε-caprolactone 3.77
    p-cymene 0.17
    epichlorohydrin 5.96
    1,1,1-trichloroethane 0.38
    2-aminoethanol 12.84
    morpholine-4-carbaldehyde 25.12
    sulfolane 38.89
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.49
    n-hexyl acetate 0.36
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.01
    sec-butyl acetate 0.28
    tert-butyl acetate 0.44
    decalin 0.04
    glycerin 34.32
    diglyme 7.66
    acrylic acid 8.66
    isopropyl myristate 0.16
    n-butyric acid 3.98
    acetyl acetate 1.04
    di(2-ethylhexyl) phthalate 0.52
    ethyl propionate 0.76
    nitromethane 25.55
    1,2-diethoxyethane 0.76
    benzonitrile 0.87
    trioctyl phosphate 0.36
    1-bromopropane 0.33
    gamma-valerolactone 17.82
    n-decanol 0.24
    triethyl phosphate 0.84
    4-methyl-2-pentanol 0.2
    propionitrile 0.85
    vinylene carbonate 4.72
    1,1,2-trichlorotrifluoroethane 25.7
    DMS 0.85
    cumene 0.13
    2-octanol 0.22
    2-hexanone 0.59
    octyl acetate 0.27
    limonene 0.21
    1,2-dimethoxyethane 6.57
    ethyl orthosilicate 0.72
    tributyl phosphate 0.4
    diacetone alcohol 2.05
    N,N-dimethylaniline 0.58
    acrylonitrile 1.79
    aniline 1.22
    1,3-propanediol 9.74
    bromobenzene 0.24
    dibromomethane 0.66
    1,1,2,2-tetrachloroethane 1.79
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 0.8
    diisobutyl methanol 0.16
    2-phenylethanol 1.0
    styrene 0.19
    dioctyl adipate 0.46
    dimethyl sulfate 9.53
    ethyl butyrate 0.67
    methyl lactate 6.36
    butyl lactate 1.18
    diethyl carbonate 0.61
    propanediol butyl ether 3.2
    triethyl orthoformate 0.83
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 1.68
    morpholine 4.55
    tert-butylamine 0.19
    n-dodecanol 0.17
    dimethoxymethane 6.61
    ethylene carbonate 3.24
    cyrene 8.65
    2-ethoxyethyl acetate 0.85
    2-ethylhexyl acetate 0.27
    1,2,4-trichlorobenzene 0.66
    4-methylpyridine 1.54
    dibutyl ether 0.24
    2,6-dimethyl-4-heptanol 0.16
    DEF 3.61
    dimethyl isosorbide 5.3
    tetrachloroethylene 1.7
    eugenol 2.2
    triacetin 1.3
    span 80 2.25
    1,4-butanediol 4.49
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.52
    methyl formate 11.6
    2-methyl-1-butanol 0.64
    n-decane 0.04
    butyronitrile 0.74
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.11
    1-chlorotetradecane 0.04
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.05
    cyclopentanol 1.82
    tetrahydropyran 1.06
    tert-amyl methyl ether 0.24
    2,5,8-trioxanonane 5.6
    1-hexene 0.15
    2-isopropoxyethanol 3.37
    2,2,2-trifluoroethanol 19.5
    methyl butyrate 1.13

    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