Hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate--hydrogen chloride (1/1)

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  • Identifiers

    CAS number
    913541-96-5

    Molecular formula
    C24H48ClNO2

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)C1CCC(CC1)CN.Cl

    Safety labels

  • Odor profile

    Fragrance
    Waxy 56.74%
    Fatty 45.67%
    Oily 43.09%
    Citrus 37.45%
    Fresh 36.07%
    Floral 34.05%
    Fruity 29.23%
    Clean 27.25%
    Sweet 25.35%
    Animal 24.77%

     

    Flavor
    Waxy 53.23%
    Fatty 47.62%
    Oily 38.92%
    Mild 38.07%
    Fruity 28.94%
    Faint 27.83%
    Fat 27.13%
    Creamy 26.96%
    Bland 26.57%
    Soapy 26.1%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.13 (neutral)

    Molecular weight
    418.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    504°C

    Flash point

    • 203.2 ˚C est.

  • Synonyms

    • DTXSID90919798
    • Hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate--hydrogen chloride (1/1)
    • RefChem:1086526
    • DTXCID201348722
    • Cetyl tranexamate hydrochloride
    • Cetyl tranexamate HCl
    • Nikkol TXC
    • 913541-96-5
    • (+/-)-Cetyl tranexamate hydrochloride
    • Cetyl tranexamate hydrochloride, (+/-)-
    • UNII-112RI6G368
    • 112RI6G368
    • Cyclohexanecarboxylic acid, 4-(aminomethyl)-, hexadecyl ester, hydrochloride (1:1), trans-
    • Cyclohexanecarboxylic acid, 4-(aminomethyl)-, hexadecyl ester, hydrochloride, trans-
    • Hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate Hydrochloride
    • hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
    • SCHEMBL659390
    • SCHEMBL3502395
    • VQDLZTHFZDRHQR-UHFFFAOYSA-N
    • Hexadecyl trans-4-(aminomethyl)cyclohexanecarboxylate hydrochloride
    • Q27251206
    • Rel-hexadecyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride
    • 913541-96-5

  • Applications

    Hexadecyl 4-(aminomethyl)cyclohexane-1-carboxylate--hydrogen chloride (1/1), CAS 913541-96-5, is typically utilized as a cationic surfactant and chemical intermediate. In practice, it serves as a wetting and emulsifying additive in coatings, inks, and cleaning formulations; it can function as a conditioning or surfactant component in cosmetics and personal care products; it finds use as a processing aid or stabilizer in polymer and plastics formulations; it acts as an adhesion promoter or surfactant in adhesives and coatings; and it may be employed as a chiral building block or intermediate in pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.54
    methanol 104.54
    isopropanol 78.02
    water 1.05
    ethyl acetate 395.15
    n-propanol 97.18
    acetone 306.76
    n-butanol 118.51
    acetonitrile 132.98
    DMF 324.37
    toluene 138.14
    isobutanol 99.17
    1,4-dioxane 424.83
    methyl acetate 256.27
    THF 838.68
    2-butanone 324.57
    n-pentanol 77.75
    sec-butanol 107.13
    n-hexane 23.42
    ethylene glycol 9.29
    NMP 763.07
    cyclohexane 155.38
    DMSO 535.41
    n-butyl acetate 361.94
    n-octanol 89.58
    chloroform 1271.63
    n-propyl acetate 410.4
    acetic acid 268.52
    dichloromethane 1309.13
    cyclohexanone 990.18
    propylene glycol 22.11
    isopropyl acetate 341.79
    DMAc 565.93
    2-ethoxyethanol 184.29
    isopentanol 141.11
    n-heptane 23.02
    ethyl formate 237.01
    1,2-dichloroethane 830.97
    n-hexanol 68.44
    2-methoxyethanol 213.94
    isobutyl acetate 250.1
    tetrachloromethane 362.49
    n-pentyl acetate 590.73
    transcutol 917.46
    n-heptanol 103.54
    ethylbenzene 80.98
    MIBK 293.14
    2-propoxyethanol 170.56
    tert-butanol 128.78
    MTBE 191.87
    2-butoxyethanol 276.47
    propionic acid 202.68
    o-xylene 124.26
    formic acid 70.33
    diethyl ether 186.82
    m-xylene 99.52
    p-xylene 130.08
    chlorobenzene 315.78
    dimethyl carbonate 113.4
    n-octane 12.68
    formamide 143.77
    cyclopentanone 897.89
    2-pentanone 343.16
    anisole 171.27
    cyclopentyl methyl ether 421.02
    gamma-butyrolactone 965.68
    1-methoxy-2-propanol 201.43
    pyridine 442.11
    3-pentanone 288.85
    furfural 696.53
    n-dodecane 7.06
    diethylene glycol 80.71
    diisopropyl ether 88.34
    tert-amyl alcohol 148.21
    acetylacetone 477.07
    n-hexadecane 8.56
    acetophenone 262.76
    methyl propionate 272.62
    isopentyl acetate 350.15
    trichloroethylene 1333.58
    n-nonanol 91.6
    cyclohexanol 259.6
    benzyl alcohol 128.87
    2-ethylhexanol 83.82
    isooctanol 111.48
    dipropyl ether 162.18
    1,2-dichlorobenzene 381.61
    ethyl lactate 150.48
    propylene carbonate 620.9
    n-methylformamide 181.38
    2-pentanol 92.72
    n-pentane 20.67
    1-propoxy-2-propanol 190.0
    1-methoxy-2-propyl acetate 329.08
    2-(2-methoxypropoxy) propanol 177.56
    mesitylene 79.03
    ε-caprolactone 903.09
    p-cymene 71.14
    epichlorohydrin 904.21
    1,1,1-trichloroethane 874.59
    2-aminoethanol 37.66
    morpholine-4-carbaldehyde 555.46
    sulfolane 1366.29
    2,2,4-trimethylpentane 21.33
    2-methyltetrahydrofuran 608.55
    n-hexyl acetate 418.62
    isooctane 10.68
    2-(2-butoxyethoxy)ethanol 281.65
    sec-butyl acetate 286.42
    tert-butyl acetate 406.72
    decalin 35.64
    glycerin 46.2
    diglyme 763.52
    acrylic acid 154.66
    isopropyl myristate 112.79
    n-butyric acid 453.69
    acetyl acetate 316.77
    di(2-ethylhexyl) phthalate 107.54
    ethyl propionate 323.67
    nitromethane 549.77
    1,2-diethoxyethane 384.55
    benzonitrile 215.88
    trioctyl phosphate 87.4
    1-bromopropane 355.95
    gamma-valerolactone 1243.78
    n-decanol 56.33
    triethyl phosphate 171.61
    4-methyl-2-pentanol 74.1
    propionitrile 141.06
    vinylene carbonate 481.56
    1,1,2-trichlorotrifluoroethane 628.69
    DMS 232.92
    cumene 61.17
    2-octanol 90.34
    2-hexanone 277.76
    octyl acetate 153.62
    limonene 125.23
    1,2-dimethoxyethane 447.56
    ethyl orthosilicate 176.13
    tributyl phosphate 121.33
    diacetone alcohol 330.5
    N,N-dimethylaniline 118.94
    acrylonitrile 150.88
    aniline 178.65
    1,3-propanediol 90.55
    bromobenzene 347.97
    dibromomethane 787.5
    1,1,2,2-tetrachloroethane 1201.58
    2-methyl-cyclohexyl acetate 250.31
    tetrabutyl urea 158.2
    diisobutyl methanol 66.27
    2-phenylethanol 118.07
    styrene 104.57
    dioctyl adipate 202.4
    dimethyl sulfate 269.67
    ethyl butyrate 341.23
    methyl lactate 131.63
    butyl lactate 326.6
    diethyl carbonate 201.55
    propanediol butyl ether 182.17
    triethyl orthoformate 273.3
    p-tert-butyltoluene 64.43
    methyl 4-tert-butylbenzoate 304.94
    morpholine 518.1
    tert-butylamine 85.45
    n-dodecanol 37.85
    dimethoxymethane 246.62
    ethylene carbonate 478.01
    cyrene 214.53
    2-ethoxyethyl acetate 584.13
    2-ethylhexyl acetate 293.95
    1,2,4-trichlorobenzene 455.34
    4-methylpyridine 375.45
    dibutyl ether 183.81
    2,6-dimethyl-4-heptanol 66.27
    DEF 446.33
    dimethyl isosorbide 408.11
    tetrachloroethylene 928.29
    eugenol 226.2
    triacetin 429.08
    span 80 186.45
    1,4-butanediol 36.76
    1,1-dichloroethane 619.56
    2-methyl-1-pentanol 100.44
    methyl formate 145.14
    2-methyl-1-butanol 127.17
    n-decane 16.82
    butyronitrile 185.78
    3,7-dimethyl-1-octanol 92.7
    1-chlorooctane 96.32
    1-chlorotetradecane 26.29
    n-nonane 15.55
    undecane 10.02
    tert-butylcyclohexane 22.57
    cyclooctane 32.45
    cyclopentanol 247.07
    tetrahydropyran 558.22
    tert-amyl methyl ether 180.61
    2,5,8-trioxanonane 353.02
    1-hexene 64.83
    2-isopropoxyethanol 157.05
    2,2,2-trifluoroethanol 183.58
    methyl butyrate 459.25

    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