(13Z)-N-Benzyl-N,N-dimethyl-13-docosen-1-aminium chloride

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  • Identifiers

    CAS number
    90730-68-0

    Molecular formula
    C31H56ClN

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.96%
    Fatty 47.53%
    Oily 39.95%
    Balsamic 22.77%
    Fishy 21.65%
    Sweet 20.25%
    Odorless 19.88%
    Meaty 19.82%
    Green 19.18%
    Burnt 19.02%

     

    Flavor
    Waxy 23.26%
    Bland 23.18%
    Delicate 20.49%
    Slightly waxy 19.37%
    Diterpene 19.33%
    Alkane 19.1%
    Mild 18.96%
    Oriental 18.79%
    Faint 18.79%
    Low 18.76%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.28 (neutral)

    Molecular weight
    478.2 g/mol

    Flash point

    • 148.57 ˚C est.

  • Synonyms

    • SCHEMBL7722625
    • DTXSID401021354
    • 90730-68-0
    • (13Z)-N-Benzyl-N,N-dimethyl-13-docosen-1-aminium chloride
    • 90730-68-0

  • Applications

    Applications for (13Z)-N-Benzyl-N,N-dimethyl-13-docosen-1-aminium chloride are as a long-chain quaternary ammonium cationic surfactant used in detergent and cleaner formulations to improve wetting, emulsification and compatibility, with potential antimicrobial contributions in household and industrial products; in cosmetics and personal care it can function as a conditioning surfactant and emulsifier; in coatings, inks and adhesives it serves as a wetting and dispersing agent to aid pigment dispersion and formulation stability; in polymer and plastics processing it may act as a surfactant or processing aid to improve dispersion and interfacial properties; in textile finishing it supports surface treatment and softening; in agricultural formulations it may act as an adjuvant to improve spray deposition and adhesion on plant surfaces. CAS number: 90730-68-0

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.79
    methanol 67.87
    isopropanol 144.32
    water 0.16
    ethyl acetate 1014.9
    n-propanol 200.98
    acetone 629.6
    n-butanol 302.94
    acetonitrile 109.32
    DMF 371.72
    toluene 617.39
    isobutanol 244.24
    1,4-dioxane 976.97
    methyl acetate 485.47
    THF 1756.09
    2-butanone 753.78
    n-pentanol 242.41
    sec-butanol 252.56
    n-hexane 329.49
    ethylene glycol 6.08
    NMP 876.72
    cyclohexane 1208.19
    DMSO 478.53
    n-butyl acetate 1096.01
    n-octanol 263.26
    chloroform 2417.86
    n-propyl acetate 950.29
    acetic acid 192.5
    dichloromethane 2298.39
    cyclohexanone 1810.91
    propylene glycol 21.12
    isopropyl acetate 1006.99
    DMAc 815.13
    2-ethoxyethanol 287.12
    isopentanol 390.66
    n-heptane 519.13
    ethyl formate 326.64
    1,2-dichloroethane 1553.72
    n-hexanol 260.93
    2-methoxyethanol 244.44
    isobutyl acetate 776.7
    tetrachloromethane 871.17
    n-pentyl acetate 1310.98
    transcutol 1424.02
    n-heptanol 305.84
    ethylbenzene 351.57
    MIBK 881.87
    2-propoxyethanol 349.67
    tert-butanol 298.07
    MTBE 913.31
    2-butoxyethanol 500.5
    propionic acid 223.44
    o-xylene 477.09
    formic acid 23.43
    diethyl ether 971.99
    m-xylene 436.1
    p-xylene 481.42
    chlorobenzene 685.08
    dimethyl carbonate 244.63
    n-octane 178.99
    formamide 41.8
    cyclopentanone 1423.2
    2-pentanone 998.84
    anisole 476.1
    cyclopentyl methyl ether 1571.11
    gamma-butyrolactone 1125.28
    1-methoxy-2-propanol 304.46
    pyridine 719.82
    3-pentanone 955.41
    furfural 598.89
    n-dodecane 58.39
    diethylene glycol 94.78
    diisopropyl ether 607.73
    tert-amyl alcohol 421.09
    acetylacetone 1017.44
    n-hexadecane 71.58
    acetophenone 529.63
    methyl propionate 673.9
    isopentyl acetate 1056.35
    trichloroethylene 2154.48
    n-nonanol 291.71
    cyclohexanol 634.31
    benzyl alcohol 232.01
    2-ethylhexanol 404.88
    isooctanol 366.48
    dipropyl ether 1373.76
    1,2-dichlorobenzene 686.87
    ethyl lactate 238.43
    propylene carbonate 765.84
    n-methylformamide 123.24
    2-pentanol 318.93
    n-pentane 274.15
    1-propoxy-2-propanol 501.92
    1-methoxy-2-propyl acetate 827.73
    2-(2-methoxypropoxy) propanol 338.12
    mesitylene 369.78
    ε-caprolactone 1533.25
    p-cymene 372.57
    epichlorohydrin 1401.68
    1,1,1-trichloroethane 2145.89
    2-aminoethanol 27.67
    morpholine-4-carbaldehyde 679.26
    sulfolane 1395.78
    2,2,4-trimethylpentane 216.53
    2-methyltetrahydrofuran 1652.82
    n-hexyl acetate 1021.78
    isooctane 126.12
    2-(2-butoxyethoxy)ethanol 476.88
    sec-butyl acetate 872.29
    tert-butyl acetate 1265.61
    decalin 321.31
    glycerin 33.34
    diglyme 1369.98
    acrylic acid 121.41
    isopropyl myristate 380.37
    n-butyric acid 655.85
    acetyl acetate 631.39
    di(2-ethylhexyl) phthalate 218.81
    ethyl propionate 845.33
    nitromethane 357.05
    1,2-diethoxyethane 1192.01
    benzonitrile 281.19
    trioctyl phosphate 193.85
    1-bromopropane 1309.79
    gamma-valerolactone 1440.24
    n-decanol 189.68
    triethyl phosphate 498.37
    4-methyl-2-pentanol 273.52
    propionitrile 206.82
    vinylene carbonate 545.0
    1,1,2-trichlorotrifluoroethane 755.22
    DMS 466.78
    cumene 277.86
    2-octanol 259.09
    2-hexanone 813.22
    octyl acetate 420.58
    limonene 735.97
    1,2-dimethoxyethane 888.43
    ethyl orthosilicate 581.65
    tributyl phosphate 252.9
    diacetone alcohol 711.16
    N,N-dimethylaniline 391.49
    acrylonitrile 142.73
    aniline 369.03
    1,3-propanediol 88.44
    bromobenzene 893.16
    dibromomethane 1683.96
    1,1,2,2-tetrachloroethane 2298.12
    2-methyl-cyclohexyl acetate 784.55
    tetrabutyl urea 361.94
    diisobutyl methanol 394.41
    2-phenylethanol 235.78
    styrene 362.56
    dioctyl adipate 461.47
    dimethyl sulfate 421.13
    ethyl butyrate 1168.58
    methyl lactate 180.75
    butyl lactate 559.04
    diethyl carbonate 575.06
    propanediol butyl ether 229.56
    triethyl orthoformate 1008.32
    p-tert-butyltoluene 343.69
    methyl 4-tert-butylbenzoate 591.09
    morpholine 990.05
    tert-butylamine 275.9
    n-dodecanol 136.73
    dimethoxymethane 603.1
    ethylene carbonate 642.14
    cyrene 332.65
    2-ethoxyethyl acetate 1128.02
    2-ethylhexyl acetate 988.88
    1,2,4-trichlorobenzene 785.69
    4-methylpyridine 779.08
    dibutyl ether 1008.49
    2,6-dimethyl-4-heptanol 394.41
    DEF 1008.92
    dimethyl isosorbide 777.94
    tetrachloroethylene 1555.5
    eugenol 354.56
    triacetin 821.23
    span 80 349.15
    1,4-butanediol 41.87
    1,1-dichloroethane 1444.38
    2-methyl-1-pentanol 334.55
    methyl formate 129.45
    2-methyl-1-butanol 373.22
    n-decane 158.32
    butyronitrile 334.52
    3,7-dimethyl-1-octanol 337.99
    1-chlorooctane 471.67
    1-chlorotetradecane 139.27
    n-nonane 175.92
    undecane 86.97
    tert-butylcyclohexane 245.94
    cyclooctane 447.66
    cyclopentanol 426.3
    tetrahydropyran 1936.75
    tert-amyl methyl ether 904.67
    2,5,8-trioxanonane 635.48
    1-hexene 478.6
    2-isopropoxyethanol 327.19
    2,2,2-trifluoroethanol 106.23
    methyl butyrate 1068.36

    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