Octoxynol-9 Carboxylic Acid

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  • Identifiers

    CAS number
    25338-58-3

    Molecular formula
    C32H56O11

    SMILES
    CCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 34.5%
    Alcoholic 29.66%
    Fresh 23.61%
    Waxy 23.42%
    Sweet 22.73%
    Oily 21.34%
    Clean 18.15%
    Fruity 18.07%
    Fishy 16.82%
    Ethereal 16.22%

     

    Flavor
    Waxy 34.62%
    Fatty 33.94%
    Sweet 33.41%
    Oily 29.37%
    Mushroom 28.39%
    Fruity 26.9%
    Creamy 26.86%
    Musty 26.56%
    Earthy 25.85%
    Odorless 25.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    -34.78 (strong acid)

    Molecular weight
    616.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1045°C

    Flash point

    • 96.58 ˚C est.

  • Synonyms

    • 3,6,9,12,15,18,21,24-Octaoxahexacosanoic acid, 26-(octylphenoxy)-
    • Octoxynol-9 carboxylic acid
    • EINECS 246-867-0
    • PEG-9 Octyl phenyl ether carboxylic acid
    • RefChem:856063
    • 25338-58-3
    • 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
    • 26-(Octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosanoic acid
    • 26-(2-OCTYLPHENOXY)-3,6,9,12,15,18,21,24-OCTAOXAHEXACOSANOIC ACID
    • 26-(2-octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-oic acid
    • SCHEMBL29486679
    • LQGIRXNHIMWFSU-UHFFFAOYSA-N
    • DTXSID701010285
    • NS00021081
    • 25338-58-3

  • Applications

    Octoxynol-9 Carboxylic Acid (CAS 25338-58-3) is a nonionic surfactant derived from octylphenol ethoxylates with a terminal carboxyl group, functioning as an emulsifier and wetting agent in many formulations. In practice it is commonly used in cosmetics and personal care, household and industrial cleaners, and coatings or inks where it aids dispersion and wetting; it can also serve as a processing aid or stabilizing surfactant in polymer and plastics formulations, and as an adjuvant or surfactant in agricultural spray formulations. Applications are typically as a surfactant/intermediate rather than an active ingredient, and are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.36
    methanol 6.5
    isopropanol 2.1
    water 0.79
    ethyl acetate 22.83
    n-propanol 4.66
    acetone 18.37
    n-butanol 3.83
    acetonitrile 8.6
    DMF 56.86
    toluene 11.75
    isobutanol 3.45
    1,4-dioxane 25.06
    methyl acetate 22.23
    THF 43.18
    2-butanone 21.8
    n-pentanol 3.66
    sec-butanol 4.22
    n-hexane 0.91
    ethylene glycol 2.36
    NMP 181.45
    cyclohexane 3.44
    DMSO 109.74
    n-butyl acetate 11.13
    n-octanol 4.03
    chloroform 86.65
    n-propyl acetate 15.31
    acetic acid 36.15
    dichloromethane 108.21
    cyclohexanone 56.09
    propylene glycol 3.05
    isopropyl acetate 13.73
    DMAc 130.81
    2-ethoxyethanol 16.52
    isopentanol 3.39
    n-heptane 1.3
    ethyl formate 16.77
    1,2-dichloroethane 54.21
    n-hexanol 2.55
    2-methoxyethanol 18.07
    isobutyl acetate 6.93
    tetrachloromethane 16.51
    n-pentyl acetate 16.25
    transcutol 46.4
    n-heptanol 3.79
    ethylbenzene 5.73
    MIBK 9.39
    2-propoxyethanol 12.38
    tert-butanol 2.99
    MTBE 5.93
    2-butoxyethanol 13.77
    propionic acid 20.34
    o-xylene 11.29
    formic acid 20.89
    diethyl ether 7.27
    m-xylene 7.81
    p-xylene 6.41
    chlorobenzene 18.05
    dimethyl carbonate 23.43
    n-octane 0.81
    formamide 34.65
    cyclopentanone 66.0
    2-pentanone 17.12
    anisole 11.23
    cyclopentyl methyl ether 27.86
    gamma-butyrolactone 92.36
    1-methoxy-2-propanol 13.21
    pyridine 34.6
    3-pentanone 24.42
    furfural 77.68
    n-dodecane 0.51
    diethylene glycol 8.53
    diisopropyl ether 2.7
    tert-amyl alcohol 5.89
    acetylacetone 35.1
    n-hexadecane 0.59
    acetophenone 23.34
    methyl propionate 29.54
    isopentyl acetate 9.11
    trichloroethylene 117.23
    n-nonanol 4.51
    cyclohexanol 10.12
    benzyl alcohol 11.16
    2-ethylhexanol 3.18
    isooctanol 3.5
    dipropyl ether 7.86
    1,2-dichlorobenzene 24.7
    ethyl lactate 14.1
    propylene carbonate 42.21
    n-methylformamide 27.81
    2-pentanol 3.02
    n-pentane 0.86
    1-propoxy-2-propanol 10.79
    1-methoxy-2-propyl acetate 19.21
    2-(2-methoxypropoxy) propanol 16.52
    mesitylene 4.79
    ε-caprolactone 58.72
    p-cymene 4.08
    epichlorohydrin 75.64
    1,1,1-trichloroethane 39.53
    2-aminoethanol 4.84
    morpholine-4-carbaldehyde 78.0
    sulfolane 200.53
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 28.26
    n-hexyl acetate 13.05
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 17.93
    sec-butyl acetate 10.49
    tert-butyl acetate 14.51
    decalin 1.95
    glycerin 8.08
    diglyme 47.88
    acrylic acid 25.23
    isopropyl myristate 4.53
    n-butyric acid 22.36
    acetyl acetate 24.83
    di(2-ethylhexyl) phthalate 6.26
    ethyl propionate 18.06
    nitromethane 83.12
    1,2-diethoxyethane 16.15
    benzonitrile 12.01
    trioctyl phosphate 4.62
    1-bromopropane 16.83
    gamma-valerolactone 96.79
    n-decanol 2.94
    triethyl phosphate 16.14
    4-methyl-2-pentanol 1.96
    propionitrile 7.38
    vinylene carbonate 46.17
    1,1,2-trichlorotrifluoroethane 105.21
    DMS 20.98
    cumene 3.86
    2-octanol 2.96
    2-hexanone 12.48
    octyl acetate 6.65
    limonene 6.85
    1,2-dimethoxyethane 26.35
    ethyl orthosilicate 14.05
    tributyl phosphate 6.27
    diacetone alcohol 16.51
    N,N-dimethylaniline 10.82
    acrylonitrile 12.86
    aniline 13.24
    1,3-propanediol 5.35
    bromobenzene 21.33
    dibromomethane 53.4
    1,1,2,2-tetrachloroethane 108.44
    2-methyl-cyclohexyl acetate 12.66
    tetrabutyl urea 10.52
    diisobutyl methanol 2.2
    2-phenylethanol 6.66
    styrene 6.45
    dioctyl adipate 11.27
    dimethyl sulfate 79.93
    ethyl butyrate 16.47
    methyl lactate 21.37
    butyl lactate 14.06
    diethyl carbonate 12.13
    propanediol butyl ether 10.17
    triethyl orthoformate 16.97
    p-tert-butyltoluene 3.71
    methyl 4-tert-butylbenzoate 21.83
    morpholine 31.57
    tert-butylamine 1.88
    n-dodecanol 2.08
    dimethoxymethane 26.99
    ethylene carbonate 35.95
    cyrene 33.62
    2-ethoxyethyl acetate 27.18
    2-ethylhexyl acetate 9.2
    1,2,4-trichlorobenzene 35.06
    4-methylpyridine 25.41
    dibutyl ether 6.53
    2,6-dimethyl-4-heptanol 2.2
    DEF 39.54
    dimethyl isosorbide 36.03
    tetrachloroethylene 71.4
    eugenol 16.48
    triacetin 33.54
    span 80 12.97
    1,4-butanediol 3.29
    1,1-dichloroethane 27.59
    2-methyl-1-pentanol 4.03
    methyl formate 27.37
    2-methyl-1-butanol 4.78
    n-decane 1.11
    butyronitrile 5.53
    3,7-dimethyl-1-octanol 3.47
    1-chlorooctane 4.81
    1-chlorotetradecane 1.63
    n-nonane 0.99
    undecane 0.71
    tert-butylcyclohexane 1.04
    cyclooctane 1.6
    cyclopentanol 11.81
    tetrahydropyran 21.78
    tert-amyl methyl ether 9.91
    2,5,8-trioxanonane 29.68
    1-hexene 2.46
    2-isopropoxyethanol 10.5
    2,2,2-trifluoroethanol 33.38
    methyl butyrate 22.88

    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