1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, ethyl sulfate (1:1)

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  • Identifiers

    CAS number
    3006-10-8

    Molecular formula
    C22H49NO4S

    SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 76.24%
    Fatty 38.89%
    Oily 35.04%
    Sweet 20.72%
    Odorless 20.27%
    Fishy 19.41%
    Meaty 19.36%
    Clean 17.09%
    Fresh 16.97%
    Burnt 16.91%

     

    Flavor
    Alkane 37.18%
    Waxy 35.96%
    Bland 27.59%
    Mild 24.82%
    Delicate 22.71%
    Slightly waxy 21.74%
    Diterpene 20.08%
    Oriental 19.84%
    Low 19.83%
    Skunky 19.82%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.29 (weak base)

    Molecular weight
    423.7 g/mol

    Flash point

    • 126.15 ˚C est.

  • Synonyms

    • Mecetronium ethylsulfate
    • 3006-10-8
    • Etilsulfato de mecetronio
    • Etilsulfate de mecetronium
    • Mecetronii etilsulfas
    • Mecetronium etilsulphate
    • mecetronium ethylsulphate
    • QM95LPV3CA
    • Ethylhexadecyldimethylammonium ethyl sulfate
    • Cetylethyldimonium ethosulfate
    • Cetyl-ethyldimonium ethosulfate
    • CETYL ETHYLDIMONIUM ETHOSULFATE
    • DTXSID60883932
    • 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, ethyl sulfate (1:1)
    • RefChem:810816
    • DTXCID501023410
    • 221-106-5
    • Mecetronium etilsulfate
    • n-ethyl-n,n-dimethylhexadecan-1-aminium ethyl sulfate
    • ethyl-hexadecyl-dimethylazanium;ethyl sulfate
    • Mecetronium etilsulfate [INN]
    • Mecetronium ethylsulfate [USAN]
    • MFCD00866764
    • 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, ethyl sulfate
    • Mecetronium ethyl sulfate
    • ethyl-hexadecyl-dimethylazanium,ethyl sulfate
    • UNII-QM95LPV3CA
    • Mecetronii etilsulfas [Latin]
    • SCHEMBL125030
    • C22H49NO4S
    • CHEMBL2106839
    • UUHBNESUDPIHCI-UHFFFAOYSA-M
    • Etilsulfate de mecetronium [French]
    • Etilsulfato de mecetronio [Spanish]
    • EINECS 221-106-5
    • Mecetronium ethylsulfate (USAN/INN)
    • MECETRONIUM ETILSULFATE [MART.]
    • Cetyl-ethyl-dimethyl-ammonium ethosulfat
    • MECETRONIUM ETILSULFATE [WHO-DD]
    • FM161446
    • NS00075660
    • D04871
    • ethyl-hexadecyl-dimethyl-ammonium;ethyl sulfate
    • F72123
    • Q-201342
    • HEXADECYL(ETHYL)DIMETHYLAMMONIUM ETHYL SULFATE
    • N-Ethyl-N,N-dimethyl-1-hexadecanaminium ethyl sulfate
    • Q15632826
    • Mecetronium ethylsulfate, Antibiotic for Culture Media Use Only
    • 3006-10-8

  • Applications

    1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, ethyl sulfate (1:1) is a long-chain quaternary ammonium salt that mainly functions as a cationic surfactant. It is used as a surface-active agent and emulsifier in coatings, inks, and polymer formulations; as a textile finishing and fabric-conditioning agent in laundries and specialty cleaners; as a conditioning ingredient in cosmetics and personal-care products; as a surfactant and antistatic additive in household cleaners; as a pigment and filler dispersant in paints, coatings, and plastics processing; and as an intermediate for the synthesis of other quaternary ammonium compounds. Applications are typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 316.84
    methanol 129.89
    isopropanol 522.66
    water 0.04
    ethyl acetate 2648.86
    n-propanol 650.99
    acetone 1075.77
    n-butanol 1011.27
    acetonitrile 298.61
    DMF 629.63
    toluene 1451.51
    isobutanol 782.89
    1,4-dioxane 2734.57
    methyl acetate 1199.84
    THF 4241.15
    2-butanone 1647.98
    n-pentanol 655.69
    sec-butanol 951.41
    n-hexane 1778.65
    ethylene glycol 14.33
    NMP 1370.96
    cyclohexane 6653.86
    DMSO 810.64
    n-butyl acetate 3964.62
    n-octanol 764.81
    chloroform 4763.94
    n-propyl acetate 2555.91
    acetic acid 320.01
    dichloromethane 3811.2
    cyclohexanone 4433.46
    propylene glycol 56.78
    isopropyl acetate 2687.7
    DMAc 1289.73
    2-ethoxyethanol 730.37
    isopentanol 1242.22
    n-heptane 3525.74
    ethyl formate 775.57
    1,2-dichloroethane 2806.0
    n-hexanol 1097.47
    2-methoxyethanol 628.8
    isobutyl acetate 1984.56
    tetrachloromethane 2028.39
    n-pentyl acetate 2983.25
    transcutol 3477.3
    n-heptanol 865.19
    ethylbenzene 903.93
    MIBK 2013.8
    2-propoxyethanol 1197.47
    tert-butanol 1292.01
    MTBE 3260.55
    2-butoxyethanol 1224.44
    propionic acid 517.95
    o-xylene 1171.01
    formic acid 28.55
    diethyl ether 3568.26
    m-xylene 1064.74
    p-xylene 1271.73
    chlorobenzene 1357.43
    dimethyl carbonate 337.25
    n-octane 834.29
    formamide 51.63
    cyclopentanone 2823.63
    2-pentanone 2294.01
    anisole 1092.8
    cyclopentyl methyl ether 4442.78
    gamma-butyrolactone 2115.84
    1-methoxy-2-propanol 832.31
    pyridine 1631.6
    3-pentanone 2181.95
    furfural 1238.36
    n-dodecane 248.72
    diethylene glycol 263.69
    diisopropyl ether 2199.03
    tert-amyl alcohol 1532.53
    acetylacetone 1788.89
    n-hexadecane 306.58
    acetophenone 1073.54
    methyl propionate 1357.76
    isopentyl acetate 3564.35
    trichloroethylene 3754.82
    n-nonanol 794.51
    cyclohexanol 2358.39
    benzyl alcohol 512.15
    2-ethylhexanol 1819.58
    isooctanol 1049.09
    dipropyl ether 5735.11
    1,2-dichlorobenzene 1449.6
    ethyl lactate 559.4
    propylene carbonate 1545.04
    n-methylformamide 206.51
    2-pentanol 1192.7
    n-pentane 1447.96
    1-propoxy-2-propanol 1928.37
    1-methoxy-2-propyl acetate 2295.89
    2-(2-methoxypropoxy) propanol 793.55
    mesitylene 949.93
    ε-caprolactone 3512.21
    p-cymene 1183.21
    epichlorohydrin 2552.72
    1,1,1-trichloroethane 4332.07
    2-aminoethanol 75.07
    morpholine-4-carbaldehyde 1447.11
    sulfolane 2515.67
    2,2,4-trimethylpentane 845.59
    2-methyltetrahydrofuran 4737.56
    n-hexyl acetate 2419.87
    isooctane 577.38
    2-(2-butoxyethoxy)ethanol 1217.51
    sec-butyl acetate 2505.7
    tert-butyl acetate 3391.12
    decalin 1274.32
    glycerin 76.03
    diglyme 3279.92
    acrylic acid 236.41
    isopropyl myristate 1106.87
    n-butyric acid 1587.37
    acetyl acetate 1401.96
    di(2-ethylhexyl) phthalate 461.52
    ethyl propionate 2261.27
    nitromethane 593.44
    1,2-diethoxyethane 3651.47
    benzonitrile 769.93
    trioctyl phosphate 498.13
    1-bromopropane 3217.59
    gamma-valerolactone 2777.92
    n-decanol 537.05
    triethyl phosphate 1348.8
    4-methyl-2-pentanol 911.1
    propionitrile 662.76
    vinylene carbonate 1049.69
    1,1,2-trichlorotrifluoroethane 1438.55
    DMS 973.4
    cumene 725.39
    2-octanol 831.69
    2-hexanone 1995.72
    octyl acetate 1083.43
    limonene 2695.44
    1,2-dimethoxyethane 2518.43
    ethyl orthosilicate 1671.54
    tributyl phosphate 666.37
    diacetone alcohol 1719.56
    N,N-dimethylaniline 868.67
    acrylonitrile 382.68
    aniline 898.26
    1,3-propanediol 245.59
    bromobenzene 1841.12
    dibromomethane 3230.37
    1,1,2,2-tetrachloroethane 4314.05
    2-methyl-cyclohexyl acetate 2109.7
    tetrabutyl urea 892.34
    diisobutyl methanol 1583.74
    2-phenylethanol 631.2
    styrene 901.98
    dioctyl adipate 1119.0
    dimethyl sulfate 560.32
    ethyl butyrate 3914.61
    methyl lactate 337.8
    butyl lactate 1209.3
    diethyl carbonate 1831.55
    propanediol butyl ether 539.07
    triethyl orthoformate 3309.46
    p-tert-butyltoluene 1177.69
    methyl 4-tert-butylbenzoate 1223.65
    morpholine 2839.05
    tert-butylamine 1339.83
    n-dodecanol 420.44
    dimethoxymethane 979.38
    ethylene carbonate 1346.49
    cyrene 601.67
    2-ethoxyethyl acetate 2275.48
    2-ethylhexyl acetate 3414.94
    1,2,4-trichlorobenzene 1551.4
    4-methylpyridine 1753.46
    dibutyl ether 3697.45
    2,6-dimethyl-4-heptanol 1583.74
    DEF 2379.47
    dimethyl isosorbide 1627.28
    tetrachloroethylene 2971.6
    eugenol 693.69
    triacetin 1690.8
    span 80 893.87
    1,4-butanediol 102.5
    1,1-dichloroethane 2939.05
    2-methyl-1-pentanol 882.85
    methyl formate 181.48
    2-methyl-1-butanol 1144.69
    n-decane 645.29
    butyronitrile 1121.28
    3,7-dimethyl-1-octanol 1128.55
    1-chlorooctane 1473.68
    1-chlorotetradecane 485.91
    n-nonane 758.85
    undecane 365.34
    tert-butylcyclohexane 1023.74
    cyclooctane 2016.1
    cyclopentanol 1481.69
    tetrahydropyran 6255.37
    tert-amyl methyl ether 2975.19
    2,5,8-trioxanonane 1452.66
    1-hexene 2085.38
    2-isopropoxyethanol 862.58
    2,2,2-trifluoroethanol 154.08
    methyl butyrate 2798.98

    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