Bis[ethyl(4-hydroxy-o-tolyl)ammonium] sulphate

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  • Identifiers

    CAS number
    68239-79-2

    Molecular formula
    C18H28N2O6S

    SMILES
    CCNC1=C(C=CC(=C1)O)C.CCNC1=C(C=CC(=C1)O)C.OS(=O)(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 44.81%
    Cheesy 36.55%
    Phenolic 35.94%
    Animal 35.26%
    Fishy 34.07%
    Burnt 33.84%
    Smoky 32.01%
    Ripe 31.72%
    Savory 31.67%
    Roasted 29.87%

     

    Flavor
    Phenolic 45.88%
    Mild 39.23%
    Meaty 38.5%
    Medicinal 33.23%
    Roasted 27.03%
    Sulfurous 25.11%
    Spicy 23.8%
    Bitter 23.32%
    Smoky 23.15%
    Creosote 22.78%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.41 (weak base)

    Molecular weight
    400.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 133.47 ˚C est.

  • Synonyms

    • Bis(ethyl(4-hydroxy-o-tolyl)ammonium) sulphate
    • Phenol, 3-(ethylamino)-4-methyl-, sulfate (2:1)
    • Bis[ethyl(4-hydroxy-o-tolyl)ammonium] sulphate
    • RefChem:569084
    • 3-Ethylamino-p-cresol sulfate
    • 68239-79-2
    • 1JI3169J37
    • Phenol, 3-(ethylamino)-4-methyl-, sulfate (2:1) (salt)
    • RODOL EACS
    • Phenol, 3-(ethylamino)-4-methyl, sulfate (2:1)
    • DTXSID0071338
    • UNII-1JI3169J37
    • EINECS 269-473-0
    • 3-(Ethylamino)-4-methyl phenol sulfate (2:1)
    • PHENOL, 3-(ETHYLAMINO)-4-METHYL-, SULFATE
    • 1-Methyl-2-(ethyl)amino-4-hydroxybenzene, hemisulfate
    • Q27252502
    • Sulfuric acid--3-(ethylamino)-4-methylphenol (1/2)
    • 2-AMINO-2-HYDROXYETHYL-4-HYDROXYTOLUENE SULFATE
    • 68239-79-2

  • Applications

    Bis[ethyl(4-hydroxy-o-tolyl)ammonium] sulphate (CAS 68239-79-2) is the sulfate salt of a quaternary ammonium compound with two cationic centers, commonly used as a cationic surfactant. Real-world applications include use as a surfactant and conditioning agent in cosmetics and personal care formulations (shampoos, conditioners), in household and industrial cleaners to improve wetting and dispersion, and in coatings and inks to enhance wetting and pigment dispersion. It may also serve as an additive or processing aid in polymer and plastics formulations to modify surface interactions, with use and formulation limits governed by local regulations and product specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.48
    methanol 222.14
    isopropanol 204.44
    water 1.09
    ethyl acetate 108.86
    n-propanol 211.44
    acetone 289.01
    n-butanol 169.63
    acetonitrile 164.45
    DMF 495.0
    toluene 37.73
    isobutanol 148.26
    1,4-dioxane 286.46
    methyl acetate 127.38
    THF 514.03
    2-butanone 172.94
    n-pentanol 115.28
    sec-butanol 140.44
    n-hexane 8.22
    ethylene glycol 98.64
    NMP 259.88
    cyclohexane 11.61
    DMSO 783.24
    n-butyl acetate 97.07
    n-octanol 78.84
    chloroform 252.56
    n-propyl acetate 60.44
    acetic acid 153.62
    dichloromethane 277.12
    cyclohexanone 226.88
    propylene glycol 149.87
    isopropyl acetate 58.9
    DMAc 245.25
    2-ethoxyethanol 124.99
    isopentanol 115.83
    n-heptane 14.53
    ethyl formate 112.31
    1,2-dichloroethane 148.39
    n-hexanol 190.85
    2-methoxyethanol 269.07
    isobutyl acetate 47.52
    tetrachloromethane 45.21
    n-pentyl acetate 56.42
    transcutol 205.13
    n-heptanol 80.17
    ethylbenzene 25.64
    MIBK 79.06
    2-propoxyethanol 223.74
    tert-butanol 236.56
    MTBE 119.68
    2-butoxyethanol 102.9
    propionic acid 144.62
    o-xylene 34.31
    formic acid 54.67
    diethyl ether 95.96
    m-xylene 41.7
    p-xylene 32.38
    chlorobenzene 63.93
    dimethyl carbonate 57.73
    n-octane 6.9
    formamide 75.72
    cyclopentanone 348.65
    2-pentanone 140.06
    anisole 64.66
    cyclopentyl methyl ether 150.59
    gamma-butyrolactone 334.31
    1-methoxy-2-propanol 215.37
    pyridine 125.0
    3-pentanone 89.13
    furfural 198.96
    n-dodecane 7.75
    diethylene glycol 182.27
    diisopropyl ether 28.42
    tert-amyl alcohol 147.86
    acetylacetone 129.97
    n-hexadecane 8.6
    acetophenone 62.74
    methyl propionate 108.57
    isopentyl acetate 80.63
    trichloroethylene 243.79
    n-nonanol 66.72
    cyclohexanol 108.25
    benzyl alcohol 65.59
    2-ethylhexanol 84.16
    isooctanol 62.54
    dipropyl ether 80.05
    1,2-dichlorobenzene 61.22
    ethyl lactate 54.39
    propylene carbonate 147.17
    n-methylformamide 194.05
    2-pentanol 90.94
    n-pentane 8.57
    1-propoxy-2-propanol 145.16
    1-methoxy-2-propyl acetate 101.62
    2-(2-methoxypropoxy) propanol 90.08
    mesitylene 29.31
    ε-caprolactone 143.74
    p-cymene 30.68
    epichlorohydrin 292.17
    1,1,1-trichloroethane 130.29
    2-aminoethanol 157.99
    morpholine-4-carbaldehyde 228.26
    sulfolane 438.79
    2,2,4-trimethylpentane 8.71
    2-methyltetrahydrofuran 248.26
    n-hexyl acetate 88.22
    isooctane 8.02
    2-(2-butoxyethoxy)ethanol 121.72
    sec-butyl acetate 38.04
    tert-butyl acetate 77.03
    decalin 9.95
    glycerin 163.18
    diglyme 191.02
    acrylic acid 116.45
    isopropyl myristate 42.13
    n-butyric acid 169.59
    acetyl acetate 69.11
    di(2-ethylhexyl) phthalate 48.19
    ethyl propionate 54.51
    nitromethane 267.61
    1,2-diethoxyethane 83.67
    benzonitrile 77.18
    trioctyl phosphate 44.1
    1-bromopropane 90.28
    gamma-valerolactone 290.88
    n-decanol 54.83
    triethyl phosphate 41.53
    4-methyl-2-pentanol 57.14
    propionitrile 129.73
    vinylene carbonate 124.42
    1,1,2-trichlorotrifluoroethane 177.76
    DMS 63.96
    cumene 26.59
    2-octanol 53.78
    2-hexanone 79.0
    octyl acetate 55.41
    limonene 47.59
    1,2-dimethoxyethane 191.74
    ethyl orthosilicate 38.3
    tributyl phosphate 42.06
    diacetone alcohol 119.42
    N,N-dimethylaniline 54.24
    acrylonitrile 147.1
    aniline 67.76
    1,3-propanediol 175.82
    bromobenzene 63.81
    dibromomethane 171.14
    1,1,2,2-tetrachloroethane 189.43
    2-methyl-cyclohexyl acetate 61.99
    tetrabutyl urea 58.02
    diisobutyl methanol 49.64
    2-phenylethanol 83.14
    styrene 27.86
    dioctyl adipate 56.5
    dimethyl sulfate 111.54
    ethyl butyrate 65.28
    methyl lactate 80.69
    butyl lactate 60.56
    diethyl carbonate 45.87
    propanediol butyl ether 109.85
    triethyl orthoformate 45.48
    p-tert-butyltoluene 32.25
    methyl 4-tert-butylbenzoate 81.46
    morpholine 284.61
    tert-butylamine 118.76
    n-dodecanol 45.11
    dimethoxymethane 217.38
    ethylene carbonate 104.81
    cyrene 101.59
    2-ethoxyethyl acetate 74.2
    2-ethylhexyl acetate 62.01
    1,2,4-trichlorobenzene 73.54
    4-methylpyridine 116.71
    dibutyl ether 54.51
    2,6-dimethyl-4-heptanol 49.64
    DEF 127.52
    dimethyl isosorbide 141.12
    tetrachloroethylene 108.04
    eugenol 82.32
    triacetin 73.32
    span 80 96.74
    1,4-butanediol 78.52
    1,1-dichloroethane 156.36
    2-methyl-1-pentanol 83.92
    methyl formate 161.75
    2-methyl-1-butanol 111.19
    n-decane 11.29
    butyronitrile 140.02
    3,7-dimethyl-1-octanol 66.39
    1-chlorooctane 43.16
    1-chlorotetradecane 20.27
    n-nonane 10.66
    undecane 9.18
    tert-butylcyclohexane 11.74
    cyclooctane 5.8
    cyclopentanol 179.11
    tetrahydropyran 223.6
    tert-amyl methyl ether 77.06
    2,5,8-trioxanonane 155.29
    1-hexene 35.79
    2-isopropoxyethanol 92.37
    2,2,2-trifluoroethanol 52.2
    methyl butyrate 76.94

    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