Ethanamine, 2-chloro-N,N-diethyl-, sulfate (1:1)

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  • Identifiers

    CAS number
    67845-39-0

    Molecular formula
    C6H16ClNO4S

    SMILES
    CCN(CC)CCCl.OS(=O)(=O)O

  • Odor profile

    Fragrance
    Fishy 86.4%
    Cheesy 68.77%
    Ripe 58.76%
    Animal 32.64%
    Odorless 26.49%
    Oily 19.73%
    Meaty 19.25%
    Savory 18.26%
    Cooling 17.39%
    Musty 17.37%

     

    Flavor
    Sulfurous 31.38%
    Fishy 29.55%
    Ammoniacal 26.45%
    Meaty 26.09%
    Sulfury 24.37%
    Bloody 21.85%
    Glue 21.55%
    Skunky 21.5%
    Mild 20.83%
    Violet-leaf 20.11%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.75 (neutral)

    Molecular weight
    233.71 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 34.77 ˚C est.

  • Synonyms

    • Ethanamine, 2-chloro-N,N-diethyl-, sulfate (1:1)
    • 67845-39-0
    • DTXSID2070689
    • beta-(N,N-Diethylamino)ethyl chloride bisulfate
    • DTXCID6045113
    • SCHEMBL11646000
    • RKXSEZIWXKMPGN-UHFFFAOYSA-N

  • Applications

    This compound, Ethanamine, 2-chloro-N,N-diethyl-, sulfate (1:1) (CAS 67845-39-0), is primarily used as a reactive intermediary to install diethylaminoethyl (DEAE) groups in polymers and resins, enabling cationic functionality for ion-exchange applications and specialty coatings; it also serves as a precursor for quaternary ammonium surfactants employed in industrial cleaners, paper and textile finishing, and personal-care formulations; it is used to functionalize cellulose, starch, and synthetic polymers to yield DEAE-functional materials for water treatment and chromatography; in pharmaceutical and agrochemical synthesis, it can act as a reagent to introduce tertiary amine motifs or scaffold-building blocks; overall, its use is typically controlled by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.07
    methanol 173.21
    isopropanol 75.77
    water 4.09
    ethyl acetate 86.34
    n-propanol 118.56
    acetone 90.8
    n-butanol 106.51
    acetonitrile 100.43
    DMF 98.49
    toluene 67.47
    isobutanol 78.4
    1,4-dioxane 212.07
    methyl acetate 91.23
    THF 263.05
    2-butanone 95.63
    n-pentanol 71.84
    sec-butanol 90.07
    n-hexane 37.0
    ethylene glycol 56.41
    NMP 222.59
    cyclohexane 109.4
    DMSO 164.86
    n-butyl acetate 147.07
    n-octanol 56.66
    chloroform 538.55
    n-propyl acetate 65.81
    acetic acid 241.6
    dichloromethane 434.3
    cyclohexanone 221.1
    propylene glycol 57.4
    isopropyl acetate 42.46
    DMAc 109.55
    2-ethoxyethanol 98.1
    isopentanol 71.52
    n-heptane 66.76
    ethyl formate 84.02
    1,2-dichloroethane 210.81
    n-hexanol 126.1
    2-methoxyethanol 139.99
    isobutyl acetate 44.85
    tetrachloromethane 198.83
    n-pentyl acetate 79.52
    transcutol 286.64
    n-heptanol 62.8
    ethylbenzene 35.74
    MIBK 28.89
    2-propoxyethanol 150.0
    tert-butanol 86.34
    MTBE 69.71
    2-butoxyethanol 97.51
    propionic acid 133.72
    o-xylene 56.22
    formic acid 102.81
    diethyl ether 84.82
    m-xylene 39.7
    p-xylene 52.28
    chlorobenzene 138.08
    dimethyl carbonate 19.02
    n-octane 19.58
    formamide 88.09
    cyclopentanone 209.34
    2-pentanone 57.12
    anisole 59.17
    cyclopentyl methyl ether 119.46
    gamma-butyrolactone 250.11
    1-methoxy-2-propanol 76.85
    pyridine 216.68
    3-pentanone 61.15
    furfural 264.73
    n-dodecane 13.25
    diethylene glycol 124.1
    diisopropyl ether 22.98
    tert-amyl alcohol 89.16
    acetylacetone 60.59
    n-hexadecane 14.67
    acetophenone 66.6
    methyl propionate 56.82
    isopentyl acetate 111.27
    trichloroethylene 397.02
    n-nonanol 52.27
    cyclohexanol 154.34
    benzyl alcohol 68.64
    2-ethylhexanol 101.61
    isooctanol 52.6
    dipropyl ether 110.87
    1,2-dichlorobenzene 137.17
    ethyl lactate 39.87
    propylene carbonate 136.72
    n-methylformamide 82.57
    2-pentanol 57.29
    n-pentane 37.43
    1-propoxy-2-propanol 124.88
    1-methoxy-2-propyl acetate 85.46
    2-(2-methoxypropoxy) propanol 91.58
    mesitylene 27.45
    ε-caprolactone 185.05
    p-cymene 61.37
    epichlorohydrin 209.62
    1,1,1-trichloroethane 238.0
    2-aminoethanol 84.4
    morpholine-4-carbaldehyde 185.38
    sulfolane 285.57
    2,2,4-trimethylpentane 21.0
    2-methyltetrahydrofuran 236.41
    n-hexyl acetate 93.26
    isooctane 8.83
    2-(2-butoxyethoxy)ethanol 111.86
    sec-butyl acetate 39.68
    tert-butyl acetate 43.36
    decalin 30.85
    glycerin 83.72
    diglyme 199.92
    acrylic acid 137.03
    isopropyl myristate 46.24
    n-butyric acid 147.29
    acetyl acetate 65.76
    di(2-ethylhexyl) phthalate 55.43
    ethyl propionate 50.27
    nitromethane 165.99
    1,2-diethoxyethane 125.76
    benzonitrile 106.84
    trioctyl phosphate 39.96
    1-bromopropane 152.14
    gamma-valerolactone 227.25
    n-decanol 40.61
    triethyl phosphate 63.38
    4-methyl-2-pentanol 29.16
    propionitrile 97.69
    vinylene carbonate 141.28
    1,1,2-trichlorotrifluoroethane 226.99
    DMS 62.67
    cumene 31.06
    2-octanol 42.1
    2-hexanone 60.05
    octyl acetate 57.88
    limonene 101.19
    1,2-dimethoxyethane 127.08
    ethyl orthosilicate 63.99
    tributyl phosphate 50.78
    diacetone alcohol 52.51
    N,N-dimethylaniline 48.11
    acrylonitrile 112.42
    aniline 106.13
    1,3-propanediol 91.6
    bromobenzene 140.19
    dibromomethane 317.13
    1,1,2,2-tetrachloroethane 321.79
    2-methyl-cyclohexyl acetate 96.85
    tetrabutyl urea 60.73
    diisobutyl methanol 49.38
    2-phenylethanol 93.77
    styrene 46.54
    dioctyl adipate 74.27
    dimethyl sulfate 41.84
    ethyl butyrate 98.46
    methyl lactate 39.93
    butyl lactate 67.01
    diethyl carbonate 69.84
    propanediol butyl ether 74.34
    triethyl orthoformate 89.24
    p-tert-butyltoluene 56.76
    methyl 4-tert-butylbenzoate 77.99
    morpholine 222.34
    tert-butylamine 73.04
    n-dodecanol 33.63
    dimethoxymethane 53.14
    ethylene carbonate 109.84
    cyrene 89.07
    2-ethoxyethyl acetate 93.83
    2-ethylhexyl acetate 112.24
    1,2,4-trichlorobenzene 171.11
    4-methylpyridine 144.61
    dibutyl ether 80.05
    2,6-dimethyl-4-heptanol 49.38
    DEF 78.29
    dimethyl isosorbide 154.42
    tetrachloroethylene 308.74
    eugenol 82.01
    triacetin 90.91
    span 80 102.85
    1,4-butanediol 46.62
    1,1-dichloroethane 187.18
    2-methyl-1-pentanol 58.64
    methyl formate 66.37
    2-methyl-1-butanol 81.12
    n-decane 21.44
    butyronitrile 94.13
    3,7-dimethyl-1-octanol 60.31
    1-chlorooctane 56.82
    1-chlorotetradecane 26.68
    n-nonane 22.48
    undecane 16.07
    tert-butylcyclohexane 25.7
    cyclooctane 29.84
    cyclopentanol 160.04
    tetrahydropyran 237.75
    tert-amyl methyl ether 65.25
    2,5,8-trioxanonane 149.17
    1-hexene 64.09
    2-isopropoxyethanol 67.01
    2,2,2-trifluoroethanol 99.54
    methyl butyrate 67.61

    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