Tri(tridecyl) benzene-1,2,4-tricarboxylate

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  • Identifiers

    CAS number
    94109-09-8

    Molecular formula
    C48H84O6

    SMILES
    CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 59.84%
    Fatty 47.75%
    Oily 46.56%
    Odorless 37.28%
    Balsamic 35.98%
    Sweet 29.93%
    Floral 29.41%
    Fruity 22.85%
    Clean 21.82%
    Fresh 21.48%

     

    Flavor
    Waxy 40.21%
    Mild 35.92%
    Oily 33.96%
    Bland 33.89%
    Faint 29.72%
    Fatty 27.46%
    Balsam 24.9%
    Odorless 23.62%
    Slightly waxy 22.72%
    Beer 21.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.9

    pKa est.
    8.83 (weak base)

    Molecular weight
    757.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    636°C

    Flash point

    • 276.25 ˚C est.

  • Synonyms

    • Tri(tridecyl) benzene-1,2,4-tricarboxylate
    • EINECS 302-446-4
    • DTXSID60240602
    • RefChem:898968
    • DTXCID50163093
    • 302-446-4
    • 94109-09-8
    • tritridecyl benzene-1,2,4-tricarboxylate
    • Tris(tridecyl)Trimellitate
    • Tris(tridecyl) benzene-1,2,4-tricarboxylate
    • Tris(tridecyl) Trimellitate
    • SCHEMBL2483901
    • SCHEMBL29776093
    • RKPOLXDFMLKRHE-UHFFFAOYSA-N
    • NS00014168
    • 94109-09-8

  • Applications

    Tri(tridecyl) benzene-1,2,4-tricarboxylate (CAS 94109-09-8) is primarily used as a plasticizer and processing aid for polymers and coatings, improving flexibility, processability, and film formation in systems such as PVC. It can also serve as a lubricant or lubricant additive in industrial manufacturing and polymer processing, contributing antiwear performance and compatibility with hydrophobic formulations. In coatings and inks, it acts as a hydrophobic plasticizer and rheology modifier to adjust flow and solvent retention. Additionally, it is often evaluated as a specialty ester intermediate in the synthesis of high-molecular-weight esters for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.94
    methanol 37.19
    isopropanol 38.81
    water 2.25
    ethyl acetate 393.46
    n-propanol 57.48
    acetone 266.32
    n-butanol 50.17
    acetonitrile 123.67
    DMF 483.75
    toluene 179.71
    isobutanol 49.62
    1,4-dioxane 226.25
    methyl acetate 350.29
    THF 493.78
    2-butanone 326.06
    n-pentanol 51.58
    sec-butanol 70.6
    n-hexane 24.0
    ethylene glycol 8.44
    NMP 1374.7
    cyclohexane 51.24
    DMSO 381.38
    n-butyl acetate 200.42
    n-octanol 45.57
    chloroform 943.01
    n-propyl acetate 273.53
    acetic acid 237.11
    dichloromethane 1051.61
    cyclohexanone 640.12
    propylene glycol 20.09
    isopropyl acetate 282.17
    DMAc 1070.41
    2-ethoxyethanol 117.01
    isopentanol 50.52
    n-heptane 15.32
    ethyl formate 178.39
    1,2-dichloroethane 608.72
    n-hexanol 37.94
    2-methoxyethanol 114.3
    isobutyl acetate 148.49
    tetrachloromethane 254.17
    n-pentyl acetate 304.02
    transcutol 363.07
    n-heptanol 45.94
    ethylbenzene 96.34
    MIBK 174.73
    2-propoxyethanol 104.69
    tert-butanol 56.3
    MTBE 134.13
    2-butoxyethanol 135.93
    propionic acid 212.26
    o-xylene 162.49
    formic acid 67.82
    diethyl ether 129.16
    m-xylene 122.77
    p-xylene 133.14
    chlorobenzene 341.42
    dimethyl carbonate 289.87
    n-octane 10.56
    formamide 139.03
    cyclopentanone 792.01
    2-pentanone 285.61
    anisole 185.06
    cyclopentyl methyl ether 333.99
    gamma-butyrolactone 1047.17
    1-methoxy-2-propanol 133.44
    pyridine 405.31
    3-pentanone 343.46
    furfural 637.82
    n-dodecane 5.55
    diethylene glycol 46.7
    diisopropyl ether 62.66
    tert-amyl alcohol 99.13
    acetylacetone 495.33
    n-hexadecane 6.67
    acetophenone 298.04
    methyl propionate 418.0
    isopentyl acetate 177.07
    trichloroethylene 1318.63
    n-nonanol 48.3
    cyclohexanol 122.73
    benzyl alcohol 114.54
    2-ethylhexanol 41.14
    isooctanol 46.5
    dipropyl ether 89.4
    1,2-dichlorobenzene 440.63
    ethyl lactate 147.14
    propylene carbonate 595.4
    n-methylformamide 233.97
    2-pentanol 57.97
    n-pentane 19.23
    1-propoxy-2-propanol 112.48
    1-methoxy-2-propyl acetate 254.98
    2-(2-methoxypropoxy) propanol 132.09
    mesitylene 77.23
    ε-caprolactone 724.73
    p-cymene 55.94
    epichlorohydrin 812.7
    1,1,1-trichloroethane 807.47
    2-aminoethanol 25.26
    morpholine-4-carbaldehyde 607.09
    sulfolane 1418.56
    2,2,4-trimethylpentane 21.14
    2-methyltetrahydrofuran 421.62
    n-hexyl acetate 253.35
    isooctane 7.92
    2-(2-butoxyethoxy)ethanol 145.93
    sec-butyl acetate 218.84
    tert-butyl acetate 305.63
    decalin 29.19
    glycerin 35.76
    diglyme 376.51
    acrylic acid 211.15
    isopropyl myristate 75.03
    n-butyric acid 283.65
    acetyl acetate 375.51
    di(2-ethylhexyl) phthalate 84.96
    ethyl propionate 313.16
    nitromethane 594.83
    1,2-diethoxyethane 190.56
    benzonitrile 164.06
    trioctyl phosphate 59.23
    1-bromopropane 264.73
    gamma-valerolactone 860.43
    n-decanol 30.07
    triethyl phosphate 155.17
    4-methyl-2-pentanol 37.19
    propionitrile 118.38
    vinylene carbonate 557.12
    1,1,2-trichlorotrifluoroethane 626.53
    DMS 332.68
    cumene 62.87
    2-octanol 44.27
    2-hexanone 211.99
    octyl acetate 107.25
    limonene 89.32
    1,2-dimethoxyethane 221.43
    ethyl orthosilicate 136.62
    tributyl phosphate 83.16
    diacetone alcohol 222.51
    N,N-dimethylaniline 147.5
    acrylonitrile 171.95
    aniline 171.43
    1,3-propanediol 41.92
    bromobenzene 407.04
    dibromomethane 585.36
    1,1,2,2-tetrachloroethane 1107.38
    2-methyl-cyclohexyl acetate 171.31
    tetrabutyl urea 123.04
    diisobutyl methanol 29.27
    2-phenylethanol 81.3
    styrene 120.11
    dioctyl adipate 142.72
    dimethyl sulfate 669.02
    ethyl butyrate 219.45
    methyl lactate 202.85
    butyl lactate 204.88
    diethyl carbonate 159.89
    propanediol butyl ether 92.51
    triethyl orthoformate 178.21
    p-tert-butyltoluene 52.8
    methyl 4-tert-butylbenzoate 295.12
    morpholine 284.99
    tert-butylamine 38.46
    n-dodecanol 20.74
    dimethoxymethane 260.76
    ethylene carbonate 455.56
    cyrene 212.66
    2-ethoxyethyl acetate 402.8
    2-ethylhexyl acetate 163.01
    1,2,4-trichlorobenzene 584.19
    4-methylpyridine 404.44
    dibutyl ether 90.32
    2,6-dimethyl-4-heptanol 29.27
    DEF 466.79
    dimethyl isosorbide 305.79
    tetrachloroethylene 677.69
    eugenol 192.75
    triacetin 417.8
    span 80 121.0
    1,4-butanediol 25.57
    1,1-dichloroethane 531.4
    2-methyl-1-pentanol 60.5
    methyl formate 200.6
    2-methyl-1-butanol 64.86
    n-decane 12.56
    butyronitrile 98.77
    3,7-dimethyl-1-octanol 43.9
    1-chlorooctane 65.35
    1-chlorotetradecane 20.76
    n-nonane 11.72
    undecane 7.74
    tert-butylcyclohexane 21.01
    cyclooctane 22.89
    cyclopentanol 149.92
    tetrahydropyran 283.35
    tert-amyl methyl ether 171.37
    2,5,8-trioxanonane 210.35
    1-hexene 59.83
    2-isopropoxyethanol 102.33
    2,2,2-trifluoroethanol 218.71
    methyl butyrate 369.2

    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