3,6,9,12,15-Pentaoxanonacosan-1-oic acid

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  • Identifiers

    CAS number
    120001-52-7

    Molecular formula
    C24H48O7

    SMILES
    CCCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 37.13%
    Odorless 33.48%
    Alcoholic 30.24%
    Oily 29.7%
    Fatty 27.88%
    Fresh 26.3%
    Sweet 25.21%
    Clean 20.87%
    Fruity 20.79%
    Buttery 17.39%

     

    Flavor
    Waxy 49.57%
    Fatty 43.11%
    Oily 35.76%
    Mushroom 34.1%
    Green 32.58%
    Fruity 30.64%
    Sweet 29.38%
    Creamy 29.08%
    Mild 27.75%
    Earthy 26.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    4.92 (weak acid)

    Molecular weight
    448.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    590°C

    Flash point

    • 226.35 ˚C est.

  • Synonyms

    • 3,6,9,12,15-PENTAOXANONACOSAN-1-OIC ACID
    • RefChem:487163
    • 658-364-7
    • 120001-52-7
    • 3,6,9,12,15-Pentaoxanonacosanoicacid
    • 2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic Acid
    • SCHEMBL1509151
    • DTXSID30403909
    • AKOS024365767
    • ST50998940
    • 2-(2-{2-[2-(2-tetradecyloxyethoxy)ethoxy]ethoxy}ethoxy)acetic acid
    • 120001-52-7

  • Applications

    3,6,9,12,15-Pentaoxanonacosan-1-oic acid (CAS 120001-52-7) is a high-molecular-weight polyether carboxylic acid that can serve as an intermediate in the synthesis of specialty polymers and as a nonionic surfactant/dispersant. In industrial formulations, it is evaluated as a processing aid and as a dispersant or pigment-wetting agent in coatings and inks, and may function as a plasticizer or lubricant in polymer processing. It may also be explored for cosmetic/personal care formulations as a high-molecular-weight surfactant component, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.61
    methanol 3.46
    isopropanol 1.11
    water 0.27
    ethyl acetate 9.37
    n-propanol 2.21
    acetone 8.09
    n-butanol 2.05
    acetonitrile 3.28
    DMF 29.31
    toluene 6.06
    isobutanol 2.04
    1,4-dioxane 13.57
    methyl acetate 8.98
    THF 32.82
    2-butanone 10.94
    n-pentanol 2.54
    sec-butanol 2.35
    n-hexane 0.86
    ethylene glycol 1.0
    NMP 117.3
    cyclohexane 3.86
    DMSO 70.51
    n-butyl acetate 10.42
    n-octanol 4.93
    chloroform 50.55
    n-propyl acetate 12.4
    acetic acid 15.98
    dichloromethane 55.74
    cyclohexanone 40.82
    propylene glycol 1.49
    isopropyl acetate 8.22
    DMAc 73.66
    2-ethoxyethanol 11.17
    isopentanol 2.52
    n-heptane 1.5
    ethyl formate 7.72
    1,2-dichloroethane 31.44
    n-hexanol 2.19
    2-methoxyethanol 10.04
    isobutyl acetate 7.84
    tetrachloromethane 11.63
    n-pentyl acetate 19.18
    transcutol 67.15
    n-heptanol 4.12
    ethylbenzene 4.72
    MIBK 7.42
    2-propoxyethanol 9.56
    tert-butanol 2.57
    MTBE 4.54
    2-butoxyethanol 15.47
    propionic acid 9.67
    o-xylene 8.22
    formic acid 8.61
    diethyl ether 3.46
    m-xylene 5.48
    p-xylene 6.05
    chlorobenzene 10.25
    dimethyl carbonate 8.62
    n-octane 0.95
    formamide 13.89
    cyclopentanone 43.52
    2-pentanone 8.83
    anisole 9.0
    cyclopentyl methyl ether 20.61
    gamma-butyrolactone 52.98
    1-methoxy-2-propanol 9.23
    pyridine 18.51
    3-pentanone 11.96
    furfural 49.37
    n-dodecane 0.62
    diethylene glycol 6.44
    diisopropyl ether 2.34
    tert-amyl alcohol 4.62
    acetylacetone 19.1
    n-hexadecane 0.73
    acetophenone 18.91
    methyl propionate 11.78
    isopentyl acetate 10.95
    trichloroethylene 64.61
    n-nonanol 5.48
    cyclohexanol 7.58
    benzyl alcohol 7.75
    2-ethylhexanol 3.76
    isooctanol 4.52
    dipropyl ether 7.12
    1,2-dichlorobenzene 17.66
    ethyl lactate 11.42
    propylene carbonate 29.45
    n-methylformamide 11.82
    2-pentanol 1.86
    n-pentane 0.57
    1-propoxy-2-propanol 10.97
    1-methoxy-2-propyl acetate 16.67
    2-(2-methoxypropoxy) propanol 22.01
    mesitylene 4.71
    ε-caprolactone 41.42
    p-cymene 5.04
    epichlorohydrin 45.16
    1,1,1-trichloroethane 27.2
    2-aminoethanol 2.2
    morpholine-4-carbaldehyde 53.63
    sulfolane 164.35
    2,2,4-trimethylpentane 1.16
    2-methyltetrahydrofuran 19.92
    n-hexyl acetate 17.74
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 24.12
    sec-butyl acetate 9.51
    tert-butyl acetate 14.25
    decalin 2.56
    glycerin 4.98
    diglyme 61.23
    acrylic acid 11.2
    isopropyl myristate 6.57
    n-butyric acid 12.4
    acetyl acetate 12.3
    di(2-ethylhexyl) phthalate 8.45
    ethyl propionate 12.12
    nitromethane 32.58
    1,2-diethoxyethane 16.72
    benzonitrile 9.06
    trioctyl phosphate 6.02
    1-bromopropane 10.2
    gamma-valerolactone 66.2
    n-decanol 3.53
    triethyl phosphate 17.6
    4-methyl-2-pentanol 1.86
    propionitrile 3.76
    vinylene carbonate 27.11
    1,1,2-trichlorotrifluoroethane 65.1
    DMS 16.39
    cumene 4.29
    2-octanol 3.54
    2-hexanone 10.1
    octyl acetate 8.6
    limonene 8.21
    1,2-dimethoxyethane 23.61
    ethyl orthosilicate 16.15
    tributyl phosphate 8.37
    diacetone alcohol 16.55
    N,N-dimethylaniline 11.47
    acrylonitrile 5.85
    aniline 6.96
    1,3-propanediol 2.87
    bromobenzene 12.24
    dibromomethane 28.29
    1,1,2,2-tetrachloroethane 70.95
    2-methyl-cyclohexyl acetate 17.72
    tetrabutyl urea 14.29
    diisobutyl methanol 3.21
    2-phenylethanol 6.32
    styrene 4.7
    dioctyl adipate 16.01
    dimethyl sulfate 36.2
    ethyl butyrate 15.2
    methyl lactate 10.87
    butyl lactate 18.44
    diethyl carbonate 10.87
    propanediol butyl ether 12.7
    triethyl orthoformate 19.08
    p-tert-butyltoluene 4.84
    methyl 4-tert-butylbenzoate 28.82
    morpholine 18.94
    tert-butylamine 1.84
    n-dodecanol 2.49
    dimethoxymethane 12.19
    ethylene carbonate 21.36
    cyrene 32.97
    2-ethoxyethyl acetate 26.99
    2-ethylhexyl acetate 11.06
    1,2,4-trichlorobenzene 24.62
    4-methylpyridine 14.24
    dibutyl ether 8.91
    2,6-dimethyl-4-heptanol 3.21
    DEF 22.97
    dimethyl isosorbide 52.4
    tetrachloroethylene 48.77
    eugenol 22.49
    triacetin 43.11
    span 80 17.24
    1,4-butanediol 1.97
    1,1-dichloroethane 15.64
    2-methyl-1-pentanol 3.67
    methyl formate 9.69
    2-methyl-1-butanol 3.15
    n-decane 1.38
    butyronitrile 3.33
    3,7-dimethyl-1-octanol 5.01
    1-chlorooctane 5.98
    1-chlorotetradecane 1.95
    n-nonane 1.27
    undecane 0.86
    tert-butylcyclohexane 1.59
    cyclooctane 1.74
    cyclopentanol 8.3
    tetrahydropyran 14.22
    tert-amyl methyl ether 7.6
    2,5,8-trioxanonane 41.27
    1-hexene 1.98
    2-isopropoxyethanol 8.73
    2,2,2-trifluoroethanol 14.73
    methyl butyrate 17.29

    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