Isooctadecanoic acid, compd. with 1-amino-2-propanol (1:1)

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  • Identifiers

    CAS number
    55738-53-9

    Molecular formula
    C21H45NO3

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)O.CC(CN)O

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  • Odor profile

    Fragrance
    Waxy 80.46%
    Fatty 69.85%
    Oily 37.74%
    Odorless 30.4%
    Creamy 25.32%
    Milky 22.04%
    Dairy 21.64%
    Meaty 21.45%
    Woody 21.41%
    Savory 21.33%

     

    Flavor
    Fatty 54.54%
    Waxy 46.35%
    Mild 37.74%
    Fat 35.0%
    Bland 32.67%
    Faint 32.22%
    Oily 31.84%
    Odorless 29.33%
    Coconut 28.23%
    Slightly waxy 26.21%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.47 (neutral)

    Molecular weight
    359.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 184.55 ˚C est.

  • Synonyms

    • EINECS 259-782-9
    • 55738-53-9
    • RefChem:149641
    • DTXSID60894422
    • Isooctadecanoic acid, compound with 1-aminopropan-2-ol (1:1)
    • 55738-53-9

  • Applications

    Isooctadecanoic acid, compd. with 1-amino-2-propanol (1:1) (CAS 55738-53-9) is commonly used as a long-chain fatty acid amide surfactant with an amino-alcohol moiety, functioning as a surfactant and emulsifier in cosmetics, personal care, and cleaning formulations; it also serves as an emollient and conditioning ingredient in cosmetic products; it can act as a plasticizer or lubricity additive for polymers and coatings; it is employed as a processing aid or compatibilizer to improve pigment dispersion and formulation stability in coatings, inks, and adhesives; and it provides a versatile precursor for the synthesis of specialty surfactants and functional additives in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.81
    methanol 53.44
    isopropanol 113.56
    water 0.01
    ethyl acetate 163.1
    n-propanol 90.35
    acetone 94.12
    n-butanol 110.07
    acetonitrile 27.41
    DMF 179.98
    toluene 56.71
    isobutanol 96.81
    1,4-dioxane 168.25
    methyl acetate 84.54
    THF 707.15
    2-butanone 161.72
    n-pentanol 98.67
    sec-butanol 111.75
    n-hexane 42.69
    ethylene glycol 2.93
    NMP 397.67
    cyclohexane 85.16
    DMSO 263.59
    n-butyl acetate 300.33
    n-octanol 92.24
    chloroform 299.57
    n-propyl acetate 257.27
    acetic acid 44.74
    dichloromethane 277.56
    cyclohexanone 451.05
    propylene glycol 17.9
    isopropyl acetate 209.69
    DMAc 316.7
    2-ethoxyethanol 153.95
    isopentanol 157.0
    n-heptane 36.39
    ethyl formate 64.27
    1,2-dichloroethane 245.57
    n-hexanol 114.8
    2-methoxyethanol 157.68
    isobutyl acetate 214.21
    tetrachloromethane 80.65
    n-pentyl acetate 326.02
    transcutol 754.79
    n-heptanol 93.63
    ethylbenzene 63.15
    MIBK 248.39
    2-propoxyethanol 214.84
    tert-butanol 205.3
    MTBE 271.93
    2-butoxyethanol 219.27
    propionic acid 61.13
    o-xylene 63.42
    formic acid 7.38
    diethyl ether 144.26
    m-xylene 64.46
    p-xylene 87.91
    chlorobenzene 100.01
    dimethyl carbonate 28.38
    n-octane 16.42
    formamide 14.29
    cyclopentanone 461.02
    2-pentanone 207.64
    anisole 134.39
    cyclopentyl methyl ether 361.01
    gamma-butyrolactone 367.57
    1-methoxy-2-propanol 224.96
    pyridine 152.42
    3-pentanone 134.65
    furfural 240.28
    n-dodecane 8.76
    diethylene glycol 67.59
    diisopropyl ether 101.81
    tert-amyl alcohol 195.96
    acetylacetone 220.68
    n-hexadecane 10.78
    acetophenone 166.89
    methyl propionate 109.74
    isopentyl acetate 343.53
    trichloroethylene 366.94
    n-nonanol 93.5
    cyclohexanol 178.93
    benzyl alcohol 83.75
    2-ethylhexanol 121.97
    isooctanol 111.33
    dipropyl ether 234.51
    1,2-dichlorobenzene 134.83
    ethyl lactate 86.97
    propylene carbonate 222.22
    n-methylformamide 49.43
    2-pentanol 111.92
    n-pentane 22.9
    1-propoxy-2-propanol 266.56
    1-methoxy-2-propyl acetate 280.37
    2-(2-methoxypropoxy) propanol 198.56
    mesitylene 60.77
    ε-caprolactone 386.72
    p-cymene 66.34
    epichlorohydrin 423.74
    1,1,1-trichloroethane 271.93
    2-aminoethanol 20.89
    morpholine-4-carbaldehyde 297.94
    sulfolane 703.64
    2,2,4-trimethylpentane 26.92
    2-methyltetrahydrofuran 472.69
    n-hexyl acetate 311.13
    isooctane 20.91
    2-(2-butoxyethoxy)ethanol 270.07
    sec-butyl acetate 237.3
    tert-butyl acetate 345.7
    decalin 42.87
    glycerin 26.15
    diglyme 522.21
    acrylic acid 29.66
    isopropyl myristate 121.96
    n-butyric acid 188.17
    acetyl acetate 85.79
    di(2-ethylhexyl) phthalate 83.7
    ethyl propionate 191.35
    nitromethane 87.04
    1,2-diethoxyethane 338.89
    benzonitrile 91.92
    trioctyl phosphate 69.71
    1-bromopropane 180.69
    gamma-valerolactone 546.71
    n-decanol 62.58
    triethyl phosphate 122.4
    4-methyl-2-pentanol 101.66
    propionitrile 47.92
    vinylene carbonate 127.72
    1,1,2-trichlorotrifluoroethane 248.1
    DMS 118.86
    cumene 58.65
    2-octanol 89.07
    2-hexanone 246.02
    octyl acetate 134.15
    limonene 126.88
    1,2-dimethoxyethane 352.04
    ethyl orthosilicate 132.13
    tributyl phosphate 93.66
    diacetone alcohol 309.69
    N,N-dimethylaniline 113.26
    acrylonitrile 40.3
    aniline 65.76
    1,3-propanediol 57.78
    bromobenzene 118.25
    dibromomethane 211.09
    1,1,2,2-tetrachloroethane 424.87
    2-methyl-cyclohexyl acetate 261.5
    tetrabutyl urea 139.31
    diisobutyl methanol 102.14
    2-phenylethanol 101.98
    styrene 65.16
    dioctyl adipate 179.8
    dimethyl sulfate 84.14
    ethyl butyrate 268.94
    methyl lactate 57.35
    butyl lactate 202.57
    diethyl carbonate 122.04
    propanediol butyl ether 164.98
    triethyl orthoformate 225.98
    p-tert-butyltoluene 69.36
    methyl 4-tert-butylbenzoate 215.02
    morpholine 300.51
    tert-butylamine 149.31
    n-dodecanol 43.55
    dimethoxymethane 133.12
    ethylene carbonate 125.94
    cyrene 187.41
    2-ethoxyethyl acetate 283.64
    2-ethylhexyl acetate 279.65
    1,2,4-trichlorobenzene 166.63
    4-methylpyridine 176.13
    dibutyl ether 239.26
    2,6-dimethyl-4-heptanol 102.14
    DEF 239.19
    dimethyl isosorbide 426.31
    tetrachloroethylene 239.8
    eugenol 165.17
    triacetin 267.21
    span 80 194.92
    1,4-butanediol 23.05
    1,1-dichloroethane 211.02
    2-methyl-1-pentanol 122.42
    methyl formate 28.69
    2-methyl-1-butanol 123.26
    n-decane 21.82
    butyronitrile 90.0
    3,7-dimethyl-1-octanol 123.86
    1-chlorooctane 104.82
    1-chlorotetradecane 30.54
    n-nonane 21.92
    undecane 13.03
    tert-butylcyclohexane 40.32
    cyclooctane 25.13
    cyclopentanol 175.29
    tetrahydropyran 354.99
    tert-amyl methyl ether 225.3
    2,5,8-trioxanonane 305.35
    1-hexene 106.38
    2-isopropoxyethanol 162.46
    2,2,2-trifluoroethanol 18.56
    methyl butyrate 275.76

    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