Isooctadecanoic acid, 1-carboxyethyl ester, sodium salt (1:1)

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  • Identifiers

    CAS number
    73231-04-6

    Molecular formula
    C21H39NaO4

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 62.1%
    Fatty 56.91%
    Odorless 39.63%
    Oily 33.44%
    Milky 27.6%
    Creamy 27.55%
    Buttery 23.69%
    Dairy 21.49%
    Savory 20.74%
    Lactonic 20.42%

     

    Flavor
    Bland 37.69%
    Mild 35.81%
    Oily 34.55%
    Waxy 33.69%
    Fatty 31.82%
    Odorless 29.74%
    Faint 28.08%
    Slightly waxy 23.46%
    Bay oil 22.1%
    Fat 21.74%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.61 (weak acid)

    Molecular weight
    378.5 g/mol

    Flash point

    • 184.33 ˚C est.

  • Synonyms

    • 73231-04-6
    • Isooctadecanoic acid, 1-carboxyethyl ester, sodium salt (1:1)
    • RefChem:149638
    • Isooctadecanoic acid, 1-carboxyethyl ester, sodium salt
    • sodium;2-(16-methylheptadecanoyloxy)propanoate
    • DTXSID50993958
    • YTPBOLBLCHIPBB-UHFFFAOYSA-M
    • NS00014061
    • sodium 2-(16-methylheptadecanoyloxy)propanoate
    • SODIUM 2-[(16-METHYLHEPTADECANOYL)OXY]PROPANOATE
    • 73231-04-6

  • Applications

    Isooctadecanoic acid, 1-carboxyethyl ester, sodium salt (1:1) is typically used as an anionic surfactant and emulsifier in industrial formulations, enabling wetting and dispersion in coatings and inks as well as cleaning products; it can act as a processing aid and lubricant additive in manufacturing, as a plasticizer or polymer-compatibility aid for certain plastics, and as an intermediate in the synthesis of specialty esters and related formulations. CAS number: 73231-04-6. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.04
    methanol 32.63
    isopropanol 25.61
    water 0.05
    ethyl acetate 94.77
    n-propanol 27.42
    acetone 84.9
    n-butanol 26.24
    acetonitrile 29.32
    DMF 165.68
    toluene 41.42
    isobutanol 26.24
    1,4-dioxane 118.96
    methyl acetate 74.48
    THF 377.63
    2-butanone 100.65
    n-pentanol 31.15
    sec-butanol 33.34
    n-hexane 6.12
    ethylene glycol 2.94
    NMP 411.85
    cyclohexane 19.93
    DMSO 242.72
    n-butyl acetate 107.19
    n-octanol 37.25
    chloroform 253.41
    n-propyl acetate 140.05
    acetic acid 50.54
    dichloromethane 300.59
    cyclohexanone 321.3
    propylene glycol 9.05
    isopropyl acetate 110.45
    DMAc 393.42
    2-ethoxyethanol 100.21
    isopentanol 40.53
    n-heptane 3.92
    ethyl formate 48.39
    1,2-dichloroethane 208.51
    n-hexanol 24.9
    2-methoxyethanol 87.54
    isobutyl acetate 93.81
    tetrachloromethane 51.95
    n-pentyl acetate 178.73
    transcutol 568.02
    n-heptanol 31.1
    ethylbenzene 36.08
    MIBK 110.23
    2-propoxyethanol 89.14
    tert-butanol 62.03
    MTBE 102.08
    2-butoxyethanol 114.6
    propionic acid 42.65
    o-xylene 45.49
    formic acid 14.17
    diethyl ether 50.64
    m-xylene 37.9
    p-xylene 54.44
    chlorobenzene 78.32
    dimethyl carbonate 33.08
    n-octane 3.53
    formamide 36.01
    cyclopentanone 333.83
    2-pentanone 102.09
    anisole 91.52
    cyclopentyl methyl ether 157.76
    gamma-butyrolactone 298.57
    1-methoxy-2-propanol 96.35
    pyridine 132.16
    3-pentanone 82.19
    furfural 224.07
    n-dodecane 2.36
    diethylene glycol 39.58
    diisopropyl ether 30.37
    tert-amyl alcohol 73.15
    acetylacetone 182.57
    n-hexadecane 2.88
    acetophenone 134.43
    methyl propionate 76.41
    isopentyl acetate 131.43
    trichloroethylene 371.67
    n-nonanol 38.48
    cyclohexanol 64.93
    benzyl alcohol 60.08
    2-ethylhexanol 28.7
    isooctanol 36.99
    dipropyl ether 44.52
    1,2-dichlorobenzene 109.91
    ethyl lactate 55.79
    propylene carbonate 166.46
    n-methylformamide 53.02
    2-pentanol 24.65
    n-pentane 3.36
    1-propoxy-2-propanol 88.63
    1-methoxy-2-propyl acetate 144.79
    2-(2-methoxypropoxy) propanol 127.31
    mesitylene 30.65
    ε-caprolactone 301.98
    p-cymene 26.94
    epichlorohydrin 354.2
    1,1,1-trichloroethane 218.75
    2-aminoethanol 11.86
    morpholine-4-carbaldehyde 281.91
    sulfolane 560.61
    2,2,4-trimethylpentane 7.45
    2-methyltetrahydrofuran 232.42
    n-hexyl acetate 172.66
    isooctane 4.06
    2-(2-butoxyethoxy)ethanol 171.24
    sec-butyl acetate 122.61
    tert-butyl acetate 186.36
    decalin 14.5
    glycerin 17.34
    diglyme 377.24
    acrylic acid 31.66
    isopropyl myristate 49.14
    n-butyric acid 87.2
    acetyl acetate 79.8
    di(2-ethylhexyl) phthalate 50.4
    ethyl propionate 107.71
    nitromethane 138.72
    1,2-diethoxyethane 167.28
    benzonitrile 69.42
    trioctyl phosphate 33.17
    1-bromopropane 90.91
    gamma-valerolactone 447.67
    n-decanol 23.66
    triethyl phosphate 62.39
    4-methyl-2-pentanol 25.64
    propionitrile 31.43
    vinylene carbonate 116.84
    1,1,2-trichlorotrifluoroethane 224.52
    DMS 101.01
    cumene 30.38
    2-octanol 31.52
    2-hexanone 123.25
    octyl acetate 63.29
    limonene 45.81
    1,2-dimethoxyethane 233.79
    ethyl orthosilicate 62.49
    tributyl phosphate 47.07
    diacetone alcohol 176.85
    N,N-dimethylaniline 70.85
    acrylonitrile 36.75
    aniline 44.58
    1,3-propanediol 24.62
    bromobenzene 93.39
    dibromomethane 171.78
    1,1,2,2-tetrachloroethane 371.68
    2-methyl-cyclohexyl acetate 112.03
    tetrabutyl urea 74.47
    diisobutyl methanol 25.55
    2-phenylethanol 53.63
    styrene 40.15
    dioctyl adipate 98.08
    dimethyl sulfate 97.33
    ethyl butyrate 99.61
    methyl lactate 44.65
    butyl lactate 117.19
    diethyl carbonate 57.72
    propanediol butyl ether 97.9
    triethyl orthoformate 83.34
    p-tert-butyltoluene 26.94
    methyl 4-tert-butylbenzoate 151.49
    morpholine 176.14
    tert-butylamine 35.55
    n-dodecanol 15.7
    dimethoxymethane 95.45
    ethylene carbonate 104.4
    cyrene 139.88
    2-ethoxyethyl acetate 221.07
    2-ethylhexyl acetate 105.8
    1,2,4-trichlorobenzene 142.94
    4-methylpyridine 132.45
    dibutyl ether 72.91
    2,6-dimethyl-4-heptanol 25.55
    DEF 164.52
    dimethyl isosorbide 289.56
    tetrachloroethylene 222.27
    eugenol 124.18
    triacetin 201.22
    span 80 108.99
    1,4-butanediol 14.04
    1,1-dichloroethane 151.82
    2-methyl-1-pentanol 46.31
    methyl formate 38.03
    2-methyl-1-butanol 35.81
    n-decane 5.48
    butyronitrile 39.59
    3,7-dimethyl-1-octanol 44.32
    1-chlorooctane 37.75
    1-chlorotetradecane 10.27
    n-nonane 5.09
    undecane 3.33
    tert-butylcyclohexane 11.39
    cyclooctane 5.73
    cyclopentanol 67.47
    tetrahydropyran 148.99
    tert-amyl methyl ether 97.87
    2,5,8-trioxanonane 220.56
    1-hexene 21.53
    2-isopropoxyethanol 90.5
    2,2,2-trifluoroethanol 31.16
    methyl butyrate 162.85

    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