N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide;2-hydroxypropanoic acid

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  • Identifiers

    CAS number
    118608-59-6

    Molecular formula
    C26H52N2O5

    SMILES
    CCCCCCC(CC=CCCCCCCCC(=O)NCCCN(C)C)O.CC(C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Meaty 36.94%
    Savory 36.52%
    Fishy 35.77%
    Cooling 31.44%
    Herbal 29.71%
    Oily 28.82%
    Mint 28.14%
    Odorless 26.61%
    Citrus 26.45%
    Fresh 26.32%

     

    Flavor
    Herbal 29.9%
    Bland 27.95%
    Mild 27.45%
    Odorless 25.51%
    Faint 22.64%
    Slightly waxy 20.83%
    Delicate 20.74%
    Bay oil 19.96%
    Yeasty 19.86%
    Leathery 19.68%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.15 (weak base)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    455°C

    Flash point

    • 218.07 ˚C est.

  • Synonyms

    • 118608-59-6
    • DTXSID20922735
    • ZBLJFZACPQPDMZ-UHFFFAOYSA-N
    • 2-Hydroxypropanoic acid--N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enimidic acid (1/1)
    • 118608-59-6

  • Applications

    N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide;2-hydroxypropanoic acid (CAS 118608-59-6) is a lipid-derived amide bearing a tertiary amine moiety, typically evaluated as a multifunctional ingredient in formulation systems. In cosmetics and personal care, it may be used as a cationic surfactant and conditioning agent; in household cleaning products, as a surfactant and foaming/dispersing additive; in industrial manufacturing, as an emulsifier and stabilizer for polymer emulsions and coatings; in coatings and inks, as a wetting and dispersing agent; and in polymers/plastics as an additive to improve dispersion and compatibility or as a building block for further surfactant derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.47
    methanol 56.85
    isopropanol 16.04
    water 0.36
    ethyl acetate 26.55
    n-propanol 28.14
    acetone 32.52
    n-butanol 28.01
    acetonitrile 6.47
    DMF 76.33
    toluene 16.32
    isobutanol 23.16
    1,4-dioxane 43.87
    methyl acetate 21.82
    THF 109.41
    2-butanone 40.09
    n-pentanol 25.72
    sec-butanol 23.59
    n-hexane 2.74
    ethylene glycol 4.89
    NMP 197.87
    cyclohexane 7.53
    DMSO 134.17
    n-butyl acetate 32.71
    n-octanol 20.29
    chloroform 102.14
    n-propyl acetate 35.96
    acetic acid 77.17
    dichloromethane 82.85
    cyclohexanone 111.35
    propylene glycol 12.9
    isopropyl acetate 27.67
    DMAc 206.38
    2-ethoxyethanol 62.9
    isopentanol 29.6
    n-heptane 2.41
    ethyl formate 24.01
    1,2-dichloroethane 52.11
    n-hexanol 20.76
    2-methoxyethanol 68.88
    isobutyl acetate 29.57
    tetrachloromethane 25.12
    n-pentyl acetate 45.66
    transcutol 310.35
    n-heptanol 22.31
    ethylbenzene 10.34
    MIBK 33.59
    2-propoxyethanol 58.27
    tert-butanol 25.29
    MTBE 25.5
    2-butoxyethanol 67.41
    propionic acid 39.48
    o-xylene 18.19
    formic acid 39.18
    diethyl ether 15.89
    m-xylene 13.98
    p-xylene 13.63
    chlorobenzene 21.9
    dimethyl carbonate 14.95
    n-octane 1.32
    formamide 40.66
    cyclopentanone 107.81
    2-pentanone 36.8
    anisole 21.34
    cyclopentyl methyl ether 55.85
    gamma-butyrolactone 102.95
    1-methoxy-2-propanol 58.59
    pyridine 43.61
    3-pentanone 33.34
    furfural 96.62
    n-dodecane 0.88
    diethylene glycol 35.64
    diisopropyl ether 8.08
    tert-amyl alcohol 33.93
    acetylacetone 46.91
    n-hexadecane 1.02
    acetophenone 38.04
    methyl propionate 29.06
    isopentyl acetate 38.0
    trichloroethylene 114.95
    n-nonanol 20.04
    cyclohexanol 48.56
    benzyl alcohol 27.02
    2-ethylhexanol 18.82
    isooctanol 21.28
    dipropyl ether 17.23
    1,2-dichlorobenzene 27.7
    ethyl lactate 30.07
    propylene carbonate 65.53
    n-methylformamide 34.95
    2-pentanol 18.43
    n-pentane 2.1
    1-propoxy-2-propanol 49.31
    1-methoxy-2-propyl acetate 50.68
    2-(2-methoxypropoxy) propanol 66.93
    mesitylene 10.36
    ε-caprolactone 105.4
    p-cymene 10.16
    epichlorohydrin 99.37
    1,1,1-trichloroethane 50.53
    2-aminoethanol 18.25
    morpholine-4-carbaldehyde 115.44
    sulfolane 219.87
    2,2,4-trimethylpentane 3.84
    2-methyltetrahydrofuran 72.51
    n-hexyl acetate 48.38
    isooctane 1.59
    2-(2-butoxyethoxy)ethanol 89.38
    sec-butyl acetate 30.3
    tert-butyl acetate 42.49
    decalin 4.15
    glycerin 28.19
    diglyme 173.53
    acrylic acid 33.99
    isopropyl myristate 14.59
    n-butyric acid 69.27
    acetyl acetate 24.7
    di(2-ethylhexyl) phthalate 24.17
    ethyl propionate 26.92
    nitromethane 68.58
    1,2-diethoxyethane 48.88
    benzonitrile 19.6
    trioctyl phosphate 15.84
    1-bromopropane 23.26
    gamma-valerolactone 156.33
    n-decanol 12.06
    triethyl phosphate 27.49
    4-methyl-2-pentanol 15.42
    propionitrile 9.7
    vinylene carbonate 52.7
    1,1,2-trichlorotrifluoroethane 152.02
    DMS 28.98
    cumene 9.66
    2-octanol 14.59
    2-hexanone 36.23
    octyl acetate 20.73
    limonene 16.46
    1,2-dimethoxyethane 82.22
    ethyl orthosilicate 30.28
    tributyl phosphate 21.28
    diacetone alcohol 62.62
    N,N-dimethylaniline 22.27
    acrylonitrile 11.51
    aniline 25.25
    1,3-propanediol 31.82
    bromobenzene 20.02
    dibromomethane 51.22
    1,1,2,2-tetrachloroethane 122.0
    2-methyl-cyclohexyl acetate 41.87
    tetrabutyl urea 30.07
    diisobutyl methanol 11.52
    2-phenylethanol 25.97
    styrene 10.28
    dioctyl adipate 32.45
    dimethyl sulfate 47.12
    ethyl butyrate 32.29
    methyl lactate 32.04
    butyl lactate 52.06
    diethyl carbonate 20.27
    propanediol butyl ether 65.37
    triethyl orthoformate 37.28
    p-tert-butyltoluene 9.7
    methyl 4-tert-butylbenzoate 55.79
    morpholine 77.33
    tert-butylamine 14.16
    n-dodecanol 7.78
    dimethoxymethane 42.33
    ethylene carbonate 43.75
    cyrene 78.4
    2-ethoxyethyl acetate 67.04
    2-ethylhexyl acetate 34.16
    1,2,4-trichlorobenzene 40.81
    4-methylpyridine 36.62
    dibutyl ether 19.98
    2,6-dimethyl-4-heptanol 11.52
    DEF 63.53
    dimethyl isosorbide 103.67
    tetrachloroethylene 93.54
    eugenol 50.37
    triacetin 70.44
    span 80 56.45
    1,4-butanediol 13.97
    1,1-dichloroethane 35.35
    2-methyl-1-pentanol 31.14
    methyl formate 23.23
    2-methyl-1-butanol 32.58
    n-decane 2.02
    butyronitrile 13.25
    3,7-dimethyl-1-octanol 19.53
    1-chlorooctane 11.23
    1-chlorotetradecane 3.22
    n-nonane 1.8
    undecane 1.25
    tert-butylcyclohexane 3.29
    cyclooctane 2.56
    cyclopentanol 42.38
    tetrahydropyran 57.95
    tert-amyl methyl ether 33.36
    2,5,8-trioxanonane 104.17
    1-hexene 8.22
    2-isopropoxyethanol 47.56
    2,2,2-trifluoroethanol 35.73
    methyl butyrate 41.45

    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