Triisodecyl Trimellitate

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  • Identifiers

    CAS number
    36631-30-8

    Molecular formula
    C39H66O6

    SMILES
    CC(C)CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 48.6%
    Balsamic 44.57%
    Waxy 38.26%
    Odorless 35.92%
    Herbal 33.77%
    Oily 32.09%
    Sweet 32.05%
    Fresh 31.23%
    Woody 30.52%
    Rose 28.65%

     

    Flavor
    Bland 30.79%
    Herbal 29.4%
    Mild 28.59%
    Oily 27.01%
    Faint 23.09%
    Warm 22.7%
    Waxy 22.22%
    Woody 21.66%
    Balsam 21.28%
    Odorless 20.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.1

    pKa est.
    8.16 (weak base)

    Molecular weight
    630.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    570°C

    Flash point

    • 244.36 ˚C est.

  • Synonyms

    • Triisodecyl trimellitate
    • 36631-30-8
    • Triisodecyl benzene-1,2,4-tricarboxylate
    • 6IFP38QKFS
    • DUB TMI
    • EINECS 253-138-0
    • 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisodecyl ester
    • EC 253-138-0
    • RefChem:899669
    • DTXSID3047180
    • TRIISODECYL TRIMELLITATE [INCI]
    • tri-isodecyl trimellitate
    • tris(8-methylnonyl) benzene-1,2,4-tricarboxylate
    • UNII-6IFP38QKFS
    • DSSTox_CID_27180
    • DSSTox_RID_82177
    • DSSTox_GSID_47180
    • SCHEMBL45218
    • CHEMBL3182138
    • SCHEMBL29369185
    • tris(8-methylnonyl) trimellitate
    • DTXSID40274208
    • FJFYFBRNDHRTHL-UHFFFAOYSA-N
    • Tox21_302650
    • NCGC00256922-01
    • CAS-36631-30-8
    • DB-257198
    • NS00004388
    • Q27264957
    • 36631-30-8

  • Applications

    Triisodecyl Trimellitate (CAS 36631-30-8) is primarily used as a high‑molecular‑weight plasticizer for PVC and other polymers, improving flexibility, elongation, and processability. It is also employed as a processing aid or co‑plasticizer in coatings, inks, and adhesive formulations to enhance film formation and flexibility. In coatings and laminates, it contributes to flexible, durable film properties. In electronics and electrical insulation applications, it is evaluated for use as a plasticizer in cable insulation and encapsulants where permanence and compatibility with polyesters and elastomers are advantageous. Additionally, it can function as a specialty plasticizer in polymer formulations needing high performance and compatibility with aromatic substrates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.66
    methanol 34.31
    isopropanol 48.64
    water 0.7
    ethyl acetate 356.83
    n-propanol 66.37
    acetone 274.01
    n-butanol 58.12
    acetonitrile 96.65
    DMF 411.2
    toluene 176.89
    isobutanol 58.67
    1,4-dioxane 207.65
    methyl acetate 319.0
    THF 545.38
    2-butanone 332.39
    n-pentanol 62.77
    sec-butanol 88.1
    n-hexane 22.72
    ethylene glycol 6.35
    NMP 1118.6
    cyclohexane 33.04
    DMSO 297.42
    n-butyl acetate 189.71
    n-octanol 48.03
    chloroform 1053.57
    n-propyl acetate 254.6
    acetic acid 252.55
    dichloromethane 1045.39
    cyclohexanone 558.49
    propylene glycol 20.93
    isopropyl acetate 278.93
    DMAc 992.08
    2-ethoxyethanol 129.15
    isopentanol 61.53
    n-heptane 11.13
    ethyl formate 149.12
    1,2-dichloroethane 575.18
    n-hexanol 45.4
    2-methoxyethanol 124.4
    isobutyl acetate 154.25
    tetrachloromethane 223.78
    n-pentyl acetate 265.46
    transcutol 426.52
    n-heptanol 48.18
    ethylbenzene 96.05
    MIBK 185.05
    2-propoxyethanol 127.56
    tert-butanol 69.72
    MTBE 156.41
    2-butoxyethanol 147.71
    propionic acid 197.81
    o-xylene 153.48
    formic acid 57.94
    diethyl ether 133.17
    m-xylene 122.06
    p-xylene 125.94
    chlorobenzene 319.5
    dimethyl carbonate 220.07
    n-octane 7.35
    formamide 113.91
    cyclopentanone 701.15
    2-pentanone 286.91
    anisole 181.72
    cyclopentyl methyl ether 327.48
    gamma-butyrolactone 870.7
    1-methoxy-2-propanol 156.7
    pyridine 356.29
    3-pentanone 314.13
    furfural 521.6
    n-dodecane 3.95
    diethylene glycol 48.64
    diisopropyl ether 62.13
    tert-amyl alcohol 124.11
    acetylacetone 444.53
    n-hexadecane 4.8
    acetophenone 281.76
    methyl propionate 376.2
    isopentyl acetate 182.38
    trichloroethylene 1354.92
    n-nonanol 50.17
    cyclohexanol 122.93
    benzyl alcohol 122.71
    2-ethylhexanol 43.8
    isooctanol 50.29
    dipropyl ether 83.94
    1,2-dichlorobenzene 391.7
    ethyl lactate 130.15
    propylene carbonate 511.56
    n-methylformamide 183.62
    2-pentanol 69.06
    n-pentane 17.0
    1-propoxy-2-propanol 126.85
    1-methoxy-2-propyl acetate 268.93
    2-(2-methoxypropoxy) propanol 147.69
    mesitylene 71.54
    ε-caprolactone 639.88
    p-cymene 51.37
    epichlorohydrin 787.14
    1,1,1-trichloroethane 785.14
    2-aminoethanol 24.22
    morpholine-4-carbaldehyde 543.59
    sulfolane 1113.9
    2,2,4-trimethylpentane 19.93
    2-methyltetrahydrofuran 444.84
    n-hexyl acetate 245.73
    isooctane 7.55
    2-(2-butoxyethoxy)ethanol 161.94
    sec-butyl acetate 210.5
    tert-butyl acetate 307.54
    decalin 23.35
    glycerin 33.83
    diglyme 384.28
    acrylic acid 180.53
    isopropyl myristate 65.96
    n-butyric acid 281.62
    acetyl acetate 306.12
    di(2-ethylhexyl) phthalate 76.12
    ethyl propionate 273.27
    nitromethane 526.24
    1,2-diethoxyethane 182.63
    benzonitrile 141.34
    trioctyl phosphate 51.84
    1-bromopropane 272.74
    gamma-valerolactone 776.19
    n-decanol 29.91
    triethyl phosphate 122.7
    4-methyl-2-pentanol 45.02
    propionitrile 97.6
    vinylene carbonate 435.82
    1,1,2-trichlorotrifluoroethane 594.92
    DMS 275.27
    cumene 62.71
    2-octanol 45.12
    2-hexanone 214.6
    octyl acetate 94.48
    limonene 79.75
    1,2-dimethoxyethane 222.64
    ethyl orthosilicate 113.51
    tributyl phosphate 73.21
    diacetone alcohol 249.09
    N,N-dimethylaniline 144.14
    acrylonitrile 134.07
    aniline 168.71
    1,3-propanediol 43.47
    bromobenzene 376.9
    dibromomethane 583.25
    1,1,2,2-tetrachloroethane 1159.33
    2-methyl-cyclohexyl acetate 157.5
    tetrabutyl urea 102.33
    diisobutyl methanol 30.65
    2-phenylethanol 90.53
    styrene 115.69
    dioctyl adipate 121.37
    dimethyl sulfate 518.66
    ethyl butyrate 190.27
    methyl lactate 175.84
    butyl lactate 192.11
    diethyl carbonate 129.41
    propanediol butyl ether 109.97
    triethyl orthoformate 150.59
    p-tert-butyltoluene 50.38
    methyl 4-tert-butylbenzoate 268.09
    morpholine 300.68
    tert-butylamine 44.58
    n-dodecanol 19.37
    dimethoxymethane 246.85
    ethylene carbonate 349.83
    cyrene 206.83
    2-ethoxyethyl acetate 382.41
    2-ethylhexyl acetate 158.58
    1,2,4-trichlorobenzene 538.37
    4-methylpyridine 389.11
    dibutyl ether 81.04
    2,6-dimethyl-4-heptanol 30.65
    DEF 426.45
    dimethyl isosorbide 310.46
    tetrachloroethylene 654.29
    eugenol 178.4
    triacetin 370.61
    span 80 130.13
    1,4-butanediol 25.78
    1,1-dichloroethane 565.89
    2-methyl-1-pentanol 77.1
    methyl formate 158.94
    2-methyl-1-butanol 79.85
    n-decane 9.5
    butyronitrile 95.01
    3,7-dimethyl-1-octanol 48.87
    1-chlorooctane 58.68
    1-chlorotetradecane 16.78
    n-nonane 8.76
    undecane 5.63
    tert-butylcyclohexane 19.0
    cyclooctane 15.12
    cyclopentanol 149.63
    tetrahydropyran 278.77
    tert-amyl methyl ether 195.59
    2,5,8-trioxanonane 202.02
    1-hexene 65.1
    2-isopropoxyethanol 117.44
    2,2,2-trifluoroethanol 190.18
    methyl butyrate 327.61

    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