Bis-hexyldioxodecyl methyl lysinate

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  • Identifiers

    CAS number
    943454-44-2

    Molecular formula
    C39H72N2O6

    SMILES
    CCCCCCCC(=O)C(CCCCCC)C(=O)NCCCC[C@@H](C(=O)OC)NC(=O)C(CCCCCC)C(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 45.61%
    Cooling 36.34%
    Savory 32.98%
    Mint 31.35%
    Spicy 29.47%
    Odorless 29.43%
    Meaty 28.66%
    Woody 28.32%
    Oily 27.91%
    Fresh 26.18%

     

    Flavor
    Bland 38.72%
    Odorless 36.56%
    Mild 27.86%
    Bitter 24.28%
    Herbal 21.89%
    Faint 20.68%
    Slightly waxy 20.22%
    Cedarleaf 19.73%
    Bay oil 19.39%
    Sweet-like 19.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.8

    pKa est.
    7.17 (neutral)

    Molecular weight
    665.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    938°C

    Flash point

    • 250.72 ˚C est.

  • Synonyms

    • Bis-hexyldioxodecyl methyl lysinate
    • K6EAA-L12
    • E2VNL539HH
    • L-Lysine, N2,N6-bis(2-hexyl-1,3-dioxodecyl)-, methyl ester
    • 943454-44-2
    • RefChem:917302
    • UNII-E2VNL539HH
    • Bis-(+/-)-hexyldioxodecyl methyl L-lysinate
    • Bis-hexyldioxodecyl methyl lysinate [INCI]
    • Q27276794
    • 943454-44-2

  • Applications

    Bis-hexyldioxodecyl methyl lysinate, CAS 943454-44-2, is typically used as a nonionic surfactant and emulsifier in cosmetics and personal care formulations, providing solubilization and stabilization of oil–water systems; it is also evaluated for use in household cleaning products as a surfactant and wetting agent; in industrial manufacturing it can serve as a processing aid to improve dispersion of pigments and polymers; in coatings and inks it can function as a surfactant or flow modifier to improve leveling and film formation; and in polymers/plastics it may act as a compatibilizer or emulsifier for polymer blends. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.37
    methanol 25.75
    isopropanol 25.49
    water 0.33
    ethyl acetate 74.37
    n-propanol 34.99
    acetone 92.55
    n-butanol 33.12
    acetonitrile 28.98
    DMF 142.47
    toluene 45.13
    isobutanol 29.77
    1,4-dioxane 93.42
    methyl acetate 74.58
    THF 218.7
    2-butanone 113.95
    n-pentanol 31.29
    sec-butanol 42.8
    n-hexane 5.53
    ethylene glycol 5.31
    NMP 538.43
    cyclohexane 11.67
    DMSO 143.11
    n-butyl acetate 47.09
    n-octanol 18.5
    chloroform 193.34
    n-propyl acetate 54.62
    acetic acid 125.48
    dichloromethane 177.59
    cyclohexanone 241.88
    propylene glycol 15.67
    isopropyl acetate 56.71
    DMAc 410.39
    2-ethoxyethanol 62.96
    isopentanol 30.22
    n-heptane 2.66
    ethyl formate 46.61
    1,2-dichloroethane 118.49
    n-hexanol 19.36
    2-methoxyethanol 67.71
    isobutyl acetate 31.05
    tetrachloromethane 47.79
    n-pentyl acetate 71.62
    transcutol 214.01
    n-heptanol 18.64
    ethylbenzene 25.12
    MIBK 50.6
    2-propoxyethanol 57.55
    tert-butanol 30.0
    MTBE 43.6
    2-butoxyethanol 62.65
    propionic acid 70.25
    o-xylene 38.03
    formic acid 34.74
    diethyl ether 37.97
    m-xylene 26.98
    p-xylene 32.69
    chlorobenzene 71.36
    dimethyl carbonate 50.66
    n-octane 1.79
    formamide 54.13
    cyclopentanone 270.0
    2-pentanone 89.81
    anisole 41.76
    cyclopentyl methyl ether 106.52
    gamma-butyrolactone 286.02
    1-methoxy-2-propanol 66.25
    pyridine 125.18
    3-pentanone 94.4
    furfural 204.11
    n-dodecane 1.0
    diethylene glycol 28.57
    diisopropyl ether 14.53
    tert-amyl alcohol 50.66
    acetylacetone 122.1
    n-hexadecane 1.18
    acetophenone 76.4
    methyl propionate 83.09
    isopentyl acetate 46.04
    trichloroethylene 269.63
    n-nonanol 19.46
    cyclohexanol 63.75
    benzyl alcohol 45.23
    2-ethylhexanol 15.38
    isooctanol 16.87
    dipropyl ether 21.96
    1,2-dichlorobenzene 73.54
    ethyl lactate 36.44
    propylene carbonate 155.83
    n-methylformamide 67.62
    2-pentanol 28.19
    n-pentane 4.66
    1-propoxy-2-propanol 47.06
    1-methoxy-2-propyl acetate 66.05
    2-(2-methoxypropoxy) propanol 64.46
    mesitylene 16.11
    ε-caprolactone 237.5
    p-cymene 12.37
    epichlorohydrin 231.14
    1,1,1-trichloroethane 137.99
    2-aminoethanol 17.44
    morpholine-4-carbaldehyde 240.45
    sulfolane 455.77
    2,2,4-trimethylpentane 4.9
    2-methyltetrahydrofuran 166.51
    n-hexyl acetate 72.51
    isooctane 1.63
    2-(2-butoxyethoxy)ethanol 81.33
    sec-butyl acetate 43.69
    tert-butyl acetate 62.0
    decalin 7.01
    glycerin 28.03
    diglyme 148.57
    acrylic acid 69.67
    isopropyl myristate 18.89
    n-butyric acid 93.52
    acetyl acetate 65.43
    di(2-ethylhexyl) phthalate 31.45
    ethyl propionate 54.3
    nitromethane 170.82
    1,2-diethoxyethane 61.33
    benzonitrile 43.89
    trioctyl phosphate 19.85
    1-bromopropane 58.07
    gamma-valerolactone 345.74
    n-decanol 11.64
    triethyl phosphate 32.49
    4-methyl-2-pentanol 15.81
    propionitrile 29.14
    vinylene carbonate 122.98
    1,1,2-trichlorotrifluoroethane 208.49
    DMS 65.43
    cumene 16.2
    2-octanol 15.47
    2-hexanone 67.06
    octyl acetate 30.12
    limonene 21.93
    1,2-dimethoxyethane 88.04
    ethyl orthosilicate 29.27
    tributyl phosphate 26.21
    diacetone alcohol 78.45
    N,N-dimethylaniline 37.42
    acrylonitrile 38.86
    aniline 55.92
    1,3-propanediol 29.03
    bromobenzene 68.99
    dibromomethane 107.79
    1,1,2,2-tetrachloroethane 240.06
    2-methyl-cyclohexyl acetate 46.32
    tetrabutyl urea 41.08
    diisobutyl methanol 8.94
    2-phenylethanol 32.25
    styrene 28.42
    dioctyl adipate 40.99
    dimethyl sulfate 121.83
    ethyl butyrate 43.19
    methyl lactate 57.68
    butyl lactate 58.49
    diethyl carbonate 27.55
    propanediol butyl ether 54.49
    triethyl orthoformate 35.9
    p-tert-butyltoluene 12.08
    methyl 4-tert-butylbenzoate 82.4
    morpholine 134.31
    tert-butylamine 17.02
    n-dodecanol 7.33
    dimethoxymethane 76.33
    ethylene carbonate 100.47
    cyrene 107.03
    2-ethoxyethyl acetate 107.92
    2-ethylhexyl acetate 39.5
    1,2,4-trichlorobenzene 107.55
    4-methylpyridine 114.84
    dibutyl ether 24.76
    2,6-dimethyl-4-heptanol 8.94
    DEF 127.86
    dimethyl isosorbide 115.46
    tetrachloroethylene 159.26
    eugenol 60.96
    triacetin 100.35
    span 80 60.19
    1,4-butanediol 16.45
    1,1-dichloroethane 100.21
    2-methyl-1-pentanol 34.7
    methyl formate 53.0
    2-methyl-1-butanol 39.27
    n-decane 2.28
    butyronitrile 30.69
    3,7-dimethyl-1-octanol 16.78
    1-chlorooctane 14.71
    1-chlorotetradecane 4.28
    n-nonane 2.05
    undecane 1.42
    tert-butylcyclohexane 4.82
    cyclooctane 3.98
    cyclopentanol 78.98
    tetrahydropyran 109.74
    tert-amyl methyl ether 56.2
    2,5,8-trioxanonane 91.46
    1-hexene 18.9
    2-isopropoxyethanol 50.12
    2,2,2-trifluoroethanol 74.57
    methyl butyrate 72.37

    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