3-(2,3-Dihydroxypropoxy)-n-(3-octadecanamidopropyl)-2-hydroxy-N,N-dimethylpropan-1-aminium chloride

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  • Identifiers

    CAS number
    1079989-54-0

    Molecular formula
    C29H61ClN2O5

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COCC(CO)O)O.[Cl-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 37.65%
    Odorless 35.46%
    Savory 31.06%
    Fishy 30.78%
    Fatty 29.87%
    Oily 27.33%
    Cooling 26.83%
    Meaty 25.97%
    Animal 25.65%
    Fresh 23.71%

     

    Flavor
    Bland 40.11%
    Odorless 36.0%
    Mild 35.45%
    Faint 23.55%
    Slightly waxy 21.34%
    Delicate 20.7%
    Bay oil 20.53%
    Sweet-like 20.49%
    Waxy 20.43%
    Yeasty 20.03%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    7.46 (neutral)

    Molecular weight
    553.3 g/mol

    Flash point

    • 86.53 ˚C est.

  • Synonyms

    • Elotant PB803
    • UNII-I10E617R8A
    • Stearamidopropyl glycerylhydroxypropyldimonium chloride
    • I10E617R8A
    • 1-Propanaminium, 3-(2,3-dihydroxypropoxy)-2-hydroxy-N,N-dimethyl-n-(3-((1-oxooctadecyl)amino)propyl)-, chloride (1:1)
    • 1079989-54-0
    • 3-(2,3-Dihydroxypropoxy)-n-(3-octadecanamidopropyl)-2-hydroxy-N,N-dimethylpropan-1-aminium chloride
    • Stearamidopropyl glycerylhydroxypropyldimonium chloride [INCI]
    • Q27280224
    • 1079989-54-0

  • Applications

    For the chemical 3-(2,3-Dihydroxypropoxy)-n-(3-octadecanamidopropyl)-2-hydroxy-N,N-dimethylpropan-1-aminium chloride (CAS 1079989-54-0), typical real-world applications include its use as a cationic surfactant and conditioning agent in cosmetics and personal care products (e.g., hair care formulations); as a surfactant and emulsifier in household and industrial cleaners; as a wetting and leveling agent in coatings and inks; as an antistatic additive or conditioning aid in textiles; and as a processing aid or compatibilizer in certain polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.81
    methanol 21.1
    isopropanol 1.86
    water 4.61
    ethyl acetate 3.41
    n-propanol 5.22
    acetone 4.54
    n-butanol 3.53
    acetonitrile 1.34
    DMF 25.27
    toluene 1.99
    isobutanol 3.27
    1,4-dioxane 7.28
    methyl acetate 3.43
    THF 15.87
    2-butanone 5.09
    n-pentanol 3.37
    sec-butanol 2.95
    n-hexane 0.22
    ethylene glycol 4.45
    NMP 94.53
    cyclohexane 0.66
    DMSO 42.89
    n-butyl acetate 3.27
    n-octanol 3.85
    chloroform 12.87
    n-propyl acetate 4.31
    acetic acid 39.78
    dichloromethane 11.92
    cyclohexanone 20.13
    propylene glycol 6.4
    isopropyl acetate 3.12
    DMAc 54.55
    2-ethoxyethanol 15.4
    isopentanol 2.82
    n-heptane 0.34
    ethyl formate 5.97
    1,2-dichloroethane 6.63
    n-hexanol 2.53
    2-methoxyethanol 21.37
    isobutyl acetate 3.04
    tetrachloromethane 3.68
    n-pentyl acetate 7.22
    transcutol 50.33
    n-heptanol 4.66
    ethylbenzene 1.29
    MIBK 3.31
    2-propoxyethanol 11.71
    tert-butanol 2.13
    MTBE 1.61
    2-butoxyethanol 19.58
    propionic acid 12.48
    o-xylene 2.54
    formic acid 46.36
    diethyl ether 1.23
    m-xylene 1.89
    p-xylene 1.58
    chlorobenzene 2.78
    dimethyl carbonate 5.62
    n-octane 0.22
    formamide 39.74
    cyclopentanone 22.71
    2-pentanone 4.04
    anisole 2.75
    cyclopentyl methyl ether 9.24
    gamma-butyrolactone 31.81
    1-methoxy-2-propanol 13.09
    pyridine 8.72
    3-pentanone 4.33
    furfural 33.32
    n-dodecane 0.14
    diethylene glycol 11.7
    diisopropyl ether 0.64
    tert-amyl alcohol 3.56
    acetylacetone 8.26
    n-hexadecane 0.15
    acetophenone 7.66
    methyl propionate 5.74
    isopentyl acetate 3.82
    trichloroethylene 17.87
    n-nonanol 3.9
    cyclohexanol 7.0
    benzyl alcohol 5.95
    2-ethylhexanol 2.21
    isooctanol 4.05
    dipropyl ether 2.09
    1,2-dichlorobenzene 3.99
    ethyl lactate 8.49
    propylene carbonate 18.42
    n-methylformamide 17.27
    2-pentanol 1.79
    n-pentane 0.21
    1-propoxy-2-propanol 9.18
    1-methoxy-2-propyl acetate 8.47
    2-(2-methoxypropoxy) propanol 14.38
    mesitylene 1.25
    ε-caprolactone 24.3
    p-cymene 1.42
    epichlorohydrin 20.03
    1,1,1-trichloroethane 5.27
    2-aminoethanol 9.26
    morpholine-4-carbaldehyde 45.94
    sulfolane 88.75
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 8.77
    n-hexyl acetate 7.13
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 19.66
    sec-butyl acetate 3.36
    tert-butyl acetate 4.98
    decalin 0.43
    glycerin 18.22
    diglyme 37.93
    acrylic acid 16.14
    isopropyl myristate 1.91
    n-butyric acid 14.38
    acetyl acetate 4.75
    di(2-ethylhexyl) phthalate 4.77
    ethyl propionate 4.16
    nitromethane 29.46
    1,2-diethoxyethane 5.1
    benzonitrile 3.61
    trioctyl phosphate 3.48
    1-bromopropane 2.16
    gamma-valerolactone 49.97
    n-decanol 2.22
    triethyl phosphate 5.47
    4-methyl-2-pentanol 1.48
    propionitrile 1.47
    vinylene carbonate 17.61
    1,1,2-trichlorotrifluoroethane 55.44
    DMS 6.03
    cumene 1.23
    2-octanol 2.6
    2-hexanone 4.02
    octyl acetate 3.36
    limonene 2.24
    1,2-dimethoxyethane 13.05
    ethyl orthosilicate 5.01
    tributyl phosphate 3.76
    diacetone alcohol 11.39
    N,N-dimethylaniline 3.59
    acrylonitrile 2.9
    aniline 4.37
    1,3-propanediol 9.31
    bromobenzene 2.37
    dibromomethane 5.67
    1,1,2,2-tetrachloroethane 18.2
    2-methyl-cyclohexyl acetate 6.37
    tetrabutyl urea 6.05
    diisobutyl methanol 1.3
    2-phenylethanol 4.65
    styrene 1.21
    dioctyl adipate 5.63
    dimethyl sulfate 21.78
    ethyl butyrate 4.51
    methyl lactate 12.1
    butyl lactate 13.41
    diethyl carbonate 3.25
    propanediol butyl ether 18.41
    triethyl orthoformate 5.82
    p-tert-butyltoluene 1.43
    methyl 4-tert-butylbenzoate 14.94
    morpholine 14.3
    tert-butylamine 1.0
    n-dodecanol 1.31
    dimethoxymethane 10.02
    ethylene carbonate 12.78
    cyrene 28.09
    2-ethoxyethyl acetate 12.1
    2-ethylhexyl acetate 3.4
    1,2,4-trichlorobenzene 6.34
    4-methylpyridine 5.8
    dibutyl ether 2.1
    2,6-dimethyl-4-heptanol 1.3
    DEF 11.51
    dimethyl isosorbide 24.33
    tetrachloroethylene 16.43
    eugenol 14.44
    triacetin 18.01
    span 80 14.42
    1,4-butanediol 5.09
    1,1-dichloroethane 3.5
    2-methyl-1-pentanol 3.37
    methyl formate 12.89
    2-methyl-1-butanol 4.01
    n-decane 0.31
    butyronitrile 1.51
    3,7-dimethyl-1-octanol 2.72
    1-chlorooctane 1.62
    1-chlorotetradecane 0.44
    n-nonane 0.28
    undecane 0.19
    tert-butylcyclohexane 0.31
    cyclooctane 0.31
    cyclopentanol 8.28
    tetrahydropyran 5.99
    tert-amyl methyl ether 2.77
    2,5,8-trioxanonane 21.79
    1-hexene 0.68
    2-isopropoxyethanol 8.96
    2,2,2-trifluoroethanol 27.21
    methyl butyrate 6.36

    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