Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides

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  • Identifiers

    CAS number
    91673-13-1

    Molecular formula
    C10H10N2O2

    SMILES
    CC1=NOC(=N1)C2=CC=CC(=C2)CO

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sweet 51.43%
    Floral 39.45%
    Nutty 34.09%
    Fruity 33.76%
    Almond 33.16%
    Roasted 31.84%
    Powdery 30.32%
    Vanilla 29.9%
    Animal 28.97%
    Bitter 28.34%

     

    Flavor
    Bitter 66.85%
    Sweet 44.76%
    Coffee 29.76%
    Fruity 29.57%
    Chocolate 27.61%
    Musty 27.32%
    Nutty 26.89%
    Powdery 25.9%
    Mild 25.57%
    Almond 25.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.76 (weak acid)

    Molecular weight
    190.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    552°C

    Flash point

    • 170.46 ˚C est.

  • Synonyms

    • 91673-13-1
    • 3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzyl alcohol
    • RefChem:591474
    • DTXSID701009874
    • 294-127-0
    • 641-230-7
    • 916766-84-2
    • [3-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol
    • (3-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl)methanol
    • MFCD09817471
    • SCHEMBL22469950
    • SCHEMBL30018059
    • DTXSID40919602
    • BENZENEMETHANOL,3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-
    • SBB091116
    • AKOS006345493
    • MS-22370
    • DB-079125
    • CS-0362862
    • [3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methan-1-ol
    • 91673-13-1

  • Applications

    Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides; CAS number: 91673-13-1 is a dialkyl quaternary ammonium salt with two long saturated tallow-derived acyl groups, commonly used as a cationic surfactant and conditioning agent in diverse formulations. In cosmetics/personal care, it acts as a conditioning agent and surfactant in shampoos, conditioners, and emulsions. In fabric care, it serves as a fabric softener and antistatic additive. In household and industrial cleaners, it provides surfactant properties and helps emulsification and dispersion. In polymers, coatings, and inks, it can act as a processing aid, antistatic additive, and surfactant to improve wetting, dispersion, and leveling. In agricultural formulations, it may be used as a surfactant/adjuvant to improve spread and uptake on crops.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.44
    methanol 93.25
    isopropanol 36.03
    water 1.1
    ethyl acetate 31.19
    n-propanol 35.63
    acetone 82.73
    n-butanol 35.73
    acetonitrile 21.39
    DMF 350.11
    toluene 11.51
    isobutanol 30.26
    1,4-dioxane 70.69
    methyl acetate 41.27
    THF 103.74
    2-butanone 54.6
    n-pentanol 30.69
    sec-butanol 28.25
    n-hexane 0.35
    ethylene glycol 43.57
    NMP 133.3
    cyclohexane 0.47
    DMSO 220.2
    n-butyl acetate 28.36
    n-octanol 14.76
    chloroform 34.79
    n-propyl acetate 28.68
    acetic acid 67.16
    dichloromethane 43.94
    cyclohexanone 64.85
    propylene glycol 35.17
    isopropyl acetate 22.54
    DMAc 314.34
    2-ethoxyethanol 84.37
    isopentanol 41.15
    n-heptane 0.69
    ethyl formate 32.53
    1,2-dichloroethane 39.41
    n-hexanol 26.98
    2-methoxyethanol 147.12
    isobutyl acetate 23.99
    tetrachloromethane 2.82
    n-pentyl acetate 19.24
    transcutol 163.98
    n-heptanol 17.3
    ethylbenzene 9.93
    MIBK 34.68
    2-propoxyethanol 65.21
    tert-butanol 64.33
    MTBE 33.99
    2-butoxyethanol 41.29
    propionic acid 33.62
    o-xylene 12.49
    formic acid 65.05
    diethyl ether 19.8
    m-xylene 12.64
    p-xylene 14.41
    chlorobenzene 20.54
    dimethyl carbonate 36.51
    n-octane 0.52
    formamide 100.63
    cyclopentanone 80.3
    2-pentanone 40.4
    anisole 35.66
    cyclopentyl methyl ether 29.57
    gamma-butyrolactone 80.8
    1-methoxy-2-propanol 86.74
    pyridine 50.45
    3-pentanone 30.11
    furfural 102.87
    n-dodecane 0.97
    diethylene glycol 83.9
    diisopropyl ether 6.59
    tert-amyl alcohol 48.08
    acetylacetone 55.25
    n-hexadecane 1.1
    acetophenone 40.93
    methyl propionate 36.47
    isopentyl acetate 31.69
    trichloroethylene 77.57
    n-nonanol 15.15
    cyclohexanol 24.49
    benzyl alcohol 42.38
    2-ethylhexanol 18.11
    isooctanol 16.49
    dipropyl ether 12.69
    1,2-dichlorobenzene 22.92
    ethyl lactate 29.89
    propylene carbonate 47.27
    n-methylformamide 88.37
    2-pentanol 21.29
    n-pentane 0.31
    1-propoxy-2-propanol 40.46
    1-methoxy-2-propyl acetate 38.75
    2-(2-methoxypropoxy) propanol 50.9
    mesitylene 7.87
    ε-caprolactone 48.51
    p-cymene 9.31
    epichlorohydrin 96.83
    1,1,1-trichloroethane 17.28
    2-aminoethanol 50.8
    morpholine-4-carbaldehyde 132.97
    sulfolane 112.79
    2,2,4-trimethylpentane 1.14
    2-methyltetrahydrofuran 42.59
    n-hexyl acetate 25.21
    isooctane 0.84
    2-(2-butoxyethoxy)ethanol 58.64
    sec-butyl acetate 21.81
    tert-butyl acetate 29.01
    decalin 1.23
    glycerin 73.08
    diglyme 98.91
    acrylic acid 42.83
    isopropyl myristate 13.9
    n-butyric acid 41.49
    acetyl acetate 22.77
    di(2-ethylhexyl) phthalate 20.58
    ethyl propionate 25.31
    nitromethane 105.74
    1,2-diethoxyethane 36.27
    benzonitrile 36.51
    trioctyl phosphate 14.04
    1-bromopropane 11.84
    gamma-valerolactone 109.36
    n-decanol 12.73
    triethyl phosphate 19.05
    4-methyl-2-pentanol 20.07
    propionitrile 24.56
    vinylene carbonate 51.53
    1,1,2-trichlorotrifluoroethane 80.48
    DMS 31.15
    cumene 9.23
    2-octanol 11.97
    2-hexanone 32.13
    octyl acetate 17.46
    limonene 12.06
    1,2-dimethoxyethane 104.49
    ethyl orthosilicate 17.96
    tributyl phosphate 16.53
    diacetone alcohol 54.62
    N,N-dimethylaniline 29.33
    acrylonitrile 39.62
    aniline 30.23
    1,3-propanediol 63.85
    bromobenzene 16.19
    dibromomethane 19.64
    1,1,2,2-tetrachloroethane 57.15
    2-methyl-cyclohexyl acetate 25.46
    tetrabutyl urea 24.81
    diisobutyl methanol 12.51
    2-phenylethanol 33.75
    styrene 11.9
    dioctyl adipate 22.56
    dimethyl sulfate 70.14
    ethyl butyrate 21.99
    methyl lactate 42.19
    butyl lactate 23.73
    diethyl carbonate 19.26
    propanediol butyl ether 41.76
    triethyl orthoformate 20.91
    p-tert-butyltoluene 9.14
    methyl 4-tert-butylbenzoate 36.74
    morpholine 74.2
    tert-butylamine 25.79
    n-dodecanol 10.55
    dimethoxymethane 109.61
    ethylene carbonate 38.18
    cyrene 58.76
    2-ethoxyethyl acetate 31.73
    2-ethylhexyl acetate 23.32
    1,2,4-trichlorobenzene 29.47
    4-methylpyridine 49.26
    dibutyl ether 13.39
    2,6-dimethyl-4-heptanol 12.51
    DEF 58.93
    dimethyl isosorbide 63.52
    tetrachloroethylene 33.96
    eugenol 41.71
    triacetin 34.09
    span 80 34.39
    1,4-butanediol 32.44
    1,1-dichloroethane 23.56
    2-methyl-1-pentanol 35.16
    methyl formate 76.9
    2-methyl-1-butanol 33.72
    n-decane 1.16
    butyronitrile 25.78
    3,7-dimethyl-1-octanol 17.37
    1-chlorooctane 6.7
    1-chlorotetradecane 3.99
    n-nonane 0.84
    undecane 1.06
    tert-butylcyclohexane 1.43
    cyclooctane 0.28
    cyclopentanol 25.32
    tetrahydropyran 34.68
    tert-amyl methyl ether 27.74
    2,5,8-trioxanonane 77.25
    1-hexene 3.32
    2-isopropoxyethanol 55.1
    2,2,2-trifluoroethanol 36.12
    methyl butyrate 34.98

    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