1,2,4-Benzenetricarboxylic acid, 1,2,4-tris[2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]butyl] ester

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  • Identifiers

    CAS number
    1190965-82-2

    Molecular formula
    C135H246O18

    SMILES
    CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C)C(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

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  • Odor profile

    Fragrance
    Waxy 61.95%
    Odorless 40.14%
    Fatty 39.49%
    Oily 36.85%
    Woody 28.61%
    Balsamic 25.37%
    Amber 20.46%
    Sandalwood 19.74%
    Alcoholic 19.47%
    Milky 17.96%

     

    Flavor
    Bland 38.22%
    Mild 37.71%
    Waxy 36.56%
    Oily 34.49%
    Faint 28.36%
    Fatty 25.59%
    Odorless 23.88%
    Slightly waxy 22.52%
    Beer 21.8%
    Bay oil 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    52.6

    pKa est.
    -8.52 (strong acid)

    Molecular weight
    2157.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    687°C

    Flash point

    • 180.5 ˚C est.

  • Synonyms

    • DTXSID801370486
    • 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris[2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]butyl] ester
    • 1190965-82-2
    • 1190965-82-2

  • Applications

    1,2,4-Benzenetricarboxylic acid, 1,2,4-tris[2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]butyl] ester (CAS 1190965-82-2) is primarily used as a high-molecular-weight plasticizer and processing additive for PVC and other thermoplastics, providing increased flexibility and improved low-temperature performance while maintaining compatibility with polar polymer matrices. It is also employed as a rheology modifier and slip/lubrication additive in coatings, inks, and adhesive formulations, helping to control flow, leveling, and heat build-up during curing. In polymerizable systems, it can function as a plasticizer for polyurethane and polyester resins, enhancing toughness and elongation. The compound may be evaluated as a specialty plasticizer or processing aid in engineering plastics and as a component in multi-purpose resin systems to tailor viscosity, compatibility, and film formation. As a bulky, fatty-alcohol ester, it can also serve as a waxy additive or lubricant component in specialty lubricants and polymer/coating formulations. It is intended for applications in accordance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.31
    methanol 35.54
    isopropanol 27.62
    water 0.62
    ethyl acetate 118.63
    n-propanol 45.97
    acetone 137.66
    n-butanol 31.06
    acetonitrile 53.03
    DMF 274.37
    toluene 97.26
    isobutanol 37.41
    1,4-dioxane 103.71
    methyl acetate 135.63
    THF 291.77
    2-butanone 163.1
    n-pentanol 36.72
    sec-butanol 45.27
    n-hexane 5.77
    ethylene glycol 9.65
    NMP 778.4
    cyclohexane 8.27
    DMSO 197.02
    n-butyl acetate 72.06
    n-octanol 24.17
    chloroform 500.29
    n-propyl acetate 104.47
    acetic acid 207.62
    dichloromethane 408.85
    cyclohexanone 277.02
    propylene glycol 29.09
    isopropyl acetate 100.85
    DMAc 515.74
    2-ethoxyethanol 84.67
    isopentanol 28.82
    n-heptane 4.25
    ethyl formate 81.57
    1,2-dichloroethane 191.65
    n-hexanol 20.81
    2-methoxyethanol 86.47
    isobutyl acetate 70.8
    tetrachloromethane 82.51
    n-pentyl acetate 117.96
    transcutol 212.35
    n-heptanol 25.46
    ethylbenzene 49.65
    MIBK 78.86
    2-propoxyethanol 77.5
    tert-butanol 33.59
    MTBE 49.76
    2-butoxyethanol 83.56
    propionic acid 139.46
    o-xylene 80.81
    formic acid 76.17
    diethyl ether 39.8
    m-xylene 72.71
    p-xylene 70.12
    chlorobenzene 150.96
    dimethyl carbonate 135.06
    n-octane 2.83
    formamide 104.53
    cyclopentanone 425.44
    2-pentanone 119.25
    anisole 87.37
    cyclopentyl methyl ether 149.54
    gamma-butyrolactone 533.57
    1-methoxy-2-propanol 101.55
    pyridine 211.46
    3-pentanone 131.46
    furfural 406.37
    n-dodecane 1.71
    diethylene glycol 42.0
    diisopropyl ether 18.9
    tert-amyl alcohol 53.26
    acetylacetone 221.79
    n-hexadecane 2.05
    acetophenone 156.49
    methyl propionate 165.76
    isopentyl acetate 69.66
    trichloroethylene 625.77
    n-nonanol 25.8
    cyclohexanol 59.24
    benzyl alcohol 83.39
    2-ethylhexanol 19.3
    isooctanol 24.34
    dipropyl ether 36.17
    1,2-dichlorobenzene 176.68
    ethyl lactate 85.98
    propylene carbonate 294.98
    n-methylformamide 144.08
    2-pentanol 29.86
    n-pentane 4.44
    1-propoxy-2-propanol 76.23
    1-methoxy-2-propyl acetate 126.17
    2-(2-methoxypropoxy) propanol 90.61
    mesitylene 42.36
    ε-caprolactone 307.83
    p-cymene 29.89
    epichlorohydrin 381.65
    1,1,1-trichloroethane 265.47
    2-aminoethanol 28.49
    morpholine-4-carbaldehyde 354.18
    sulfolane 772.97
    2,2,4-trimethylpentane 5.53
    2-methyltetrahydrofuran 168.1
    n-hexyl acetate 100.93
    isooctane 2.43
    2-(2-butoxyethoxy)ethanol 89.18
    sec-butyl acetate 85.48
    tert-butyl acetate 117.1
    decalin 7.63
    glycerin 47.7
    diglyme 193.66
    acrylic acid 159.43
    isopropyl myristate 31.1
    n-butyric acid 142.99
    acetyl acetate 142.95
    di(2-ethylhexyl) phthalate 50.11
    ethyl propionate 100.84
    nitromethane 358.79
    1,2-diethoxyethane 67.83
    benzonitrile 93.51
    trioctyl phosphate 30.61
    1-bromopropane 83.1
    gamma-valerolactone 523.8
    n-decanol 15.78
    triethyl phosphate 56.27
    4-methyl-2-pentanol 20.78
    propionitrile 55.12
    vinylene carbonate 291.5
    1,1,2-trichlorotrifluoroethane 393.02
    DMS 133.62
    cumene 33.3
    2-octanol 21.74
    2-hexanone 99.74
    octyl acetate 43.54
    limonene 34.76
    1,2-dimethoxyethane 109.73
    ethyl orthosilicate 49.54
    tributyl phosphate 39.49
    diacetone alcohol 132.5
    N,N-dimethylaniline 77.41
    acrylonitrile 86.61
    aniline 101.85
    1,3-propanediol 34.1
    bromobenzene 171.84
    dibromomethane 218.88
    1,1,2,2-tetrachloroethane 481.04
    2-methyl-cyclohexyl acetate 77.78
    tetrabutyl urea 57.71
    diisobutyl methanol 14.7
    2-phenylethanol 57.47
    styrene 55.63
    dioctyl adipate 63.07
    dimethyl sulfate 329.12
    ethyl butyrate 76.78
    methyl lactate 135.62
    butyl lactate 112.16
    diethyl carbonate 52.85
    propanediol butyl ether 81.35
    triethyl orthoformate 67.37
    p-tert-butyltoluene 30.25
    methyl 4-tert-butylbenzoate 165.08
    morpholine 147.5
    tert-butylamine 18.31
    n-dodecanol 10.29
    dimethoxymethane 142.87
    ethylene carbonate 205.42
    cyrene 177.23
    2-ethoxyethyl acetate 165.32
    2-ethylhexyl acetate 60.58
    1,2,4-trichlorobenzene 251.32
    4-methylpyridine 200.89
    dibutyl ether 30.86
    2,6-dimethyl-4-heptanol 14.7
    DEF 175.78
    dimethyl isosorbide 192.12
    tetrachloroethylene 289.77
    eugenol 115.05
    triacetin 208.35
    span 80 83.54
    1,4-butanediol 23.64
    1,1-dichloroethane 191.64
    2-methyl-1-pentanol 36.45
    methyl formate 136.14
    2-methyl-1-butanol 40.42
    n-decane 3.78
    butyronitrile 41.75
    3,7-dimethyl-1-octanol 24.38
    1-chlorooctane 22.49
    1-chlorotetradecane 6.74
    n-nonane 3.43
    undecane 2.37
    tert-butylcyclohexane 6.41
    cyclooctane 4.27
    cyclopentanol 88.15
    tetrahydropyran 107.1
    tert-amyl methyl ether 65.68
    2,5,8-trioxanonane 109.1
    1-hexene 20.16
    2-isopropoxyethanol 69.12
    2,2,2-trifluoroethanol 138.47
    methyl butyrate 130.9

    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