Trioctyl trimellitate

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  • Identifiers

    CAS number
    3319-31-1

    Molecular formula
    C33H54O6

    SMILES
    CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 45.2%
    Fruity 42.68%
    Balsamic 38.32%
    Floral 33.66%
    Oily 32.58%
    Odorless 30.59%
    Woody 29.37%
    Mint 27.85%
    Fresh 25.69%
    Sweet 25.36%

     

    Flavor
    Herbal 33.64%
    Bland 26.78%
    Bitter 24.21%
    Mild 22.83%
    Oily 21.16%
    Warm 21.0%
    Odorless 20.74%
    Waxy 20.23%
    Heather 19.83%
    Parsley 19.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.4

    pKa est.
    6.74 (neutral)

    Molecular weight
    546.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -46 °C

    Boiling point

    • 414 °C

    Flash point

    • 217.84 ˚C est.
    • greater than 200 °F (NTP, 1992)
    • 263 °C (505 °F) (Closed cup)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • In water, 3.9X10-4 mg/L at 25 °C

  • Synonyms

    • 3319-31-1
    • TRIS(2-ETHYLHEXYL) TRIMELLITATE
    • Totm
    • Tri-2-ethylhexyl trimellitate
    • Staflex TOTM
    • Morflex 510
    • Hatcol 200
    • Trimex T 08
    • 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester
    • Monosizer W710L
    • DTXSID9026265
    • DTXCID806265
    • 378539Q830
    • RefChem:900194
    • Trioctyl trimellitate
    • Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
    • Kodaflex TOTM
    • Tris(2-ethylhexyl)trimellitate
    • triethylhexyl trimellitate
    • tri(2-Ethylhexyl) trimellitate
    • MFCD00053799
    • Trimellitic Acid Tris(2-ethylhexyl) Ester
    • 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(2-ethylhexyl) ester
    • CAS-3319-31-1
    • Tri-(2-ethylhexyl)trimellitate
    • Tri(2-ethylhexyl) trimellitat
    • CCRIS 4733
    • tri-(2-ethylhexyl) trimellitate
    • HSDB 6145
    • Palatinol TOTM
    • Plasthall TOTM
    • EINECS 222-020-0
    • Tricotyl trimellitate
    • PELEMOL TOTM
    • BRN 2683525
    • DUB TMO
    • Plastic additive 26 CRS
    • TRIMELLITIC ACID TRI-2-ETHYLHEXYL ESTER
    • BISOFLEX TOT (MED)
    • Trioctyl trimellitate, 99%
    • SCHEMBL34167
    • tri(2-ethylhexyl)trimellitate
    • tris-2-ethylhexyl trimellitate
    • orb2893650
    • orb3024976
    • CHEMBL1425782
    • SCHEMBL29351184
    • 1,2,4-Benzenetricarboxylic Acid Tris(2-ethylhexyl) Ester
    • CHEBI:184113
    • Tox21_202002
    • Tox21_300614
    • MSK001855
    • PX-338
    • UNII-378539Q830
    • Trimellitate tris(2-ethylhexyl) ester
    • Trioctyl 1,2,4-Benzenetricarboxylate
    • AKOS015889918
    • NCGC00091597-01
    • NCGC00091597-02
    • NCGC00091597-03
    • NCGC00254472-01
    • NCGC00259551-01
    • LS-15354
    • SY033308
    • DB-321834
    • MSK001855-1000
    • B0881
    • NS00005625
    • EC 222-020-0
    • F71186
    • TRIS(2-ETHYLHEXYL) TRIMELLITATE [HSDB]
    • Tris(2-ethylhexyl) 1,2,4-benzenetricarboxylate #
    • Tris(2-ethylhexyl) trimellitate, Selectophore(TM)
    • Q27256655
    • Trioctyl trimellitate Solution in Acetone, 1000?g/mL
    • Tris(2-ethylhexyl) ester 1,2,4-benzenetricarboxylic acid
    • 1,2,4-BENZENETRICARBOXYLIC ACID TRI(2-ETHYLHEXYL)ESTER
    • 1-O,4-O-Bis[(2S)-2-ethylhexyl] 2-O-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate
    • 222-020-0
    • 82643-26-3
    • 3319-31-1

  • Applications

    Trioctyl trimellitate (CAS 3319-31-1) is commonly used as a high-temperature, low-volatility plasticizer for PVC and other polymers. Typical applications include electrical cable insulation and flexible PVC films, coatings and inks, adhesives and sealants, vinyl flooring and wall coverings, and specialty polymer formulations that require enhanced heat resistance and permanence, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.87
    methanol 44.12
    isopropanol 62.23
    water 0.9
    ethyl acetate 505.83
    n-propanol 80.37
    acetone 362.94
    n-butanol 76.27
    acetonitrile 146.5
    DMF 458.19
    toluene 242.86
    isobutanol 74.55
    1,4-dioxane 289.04
    methyl acetate 441.33
    THF 628.04
    2-butanone 436.4
    n-pentanol 78.88
    sec-butanol 108.65
    n-hexane 29.69
    ethylene glycol 8.06
    NMP 1289.34
    cyclohexane 51.29
    DMSO 338.38
    n-butyl acetate 237.09
    n-octanol 58.65
    chloroform 1162.18
    n-propyl acetate 293.87
    acetic acid 286.11
    dichloromethane 1211.37
    cyclohexanone 715.99
    propylene glycol 22.55
    isopropyl acetate 371.0
    DMAc 1200.44
    2-ethoxyethanol 154.83
    isopentanol 80.12
    n-heptane 14.15
    ethyl formate 172.15
    1,2-dichloroethane 750.31
    n-hexanol 58.94
    2-methoxyethanol 147.38
    isobutyl acetate 170.89
    tetrachloromethane 272.11
    n-pentyl acetate 333.42
    transcutol 541.32
    n-heptanol 59.77
    ethylbenzene 123.4
    MIBK 233.66
    2-propoxyethanol 155.76
    tert-butanol 93.64
    MTBE 218.7
    2-butoxyethanol 167.59
    propionic acid 230.85
    o-xylene 207.61
    formic acid 62.15
    diethyl ether 198.68
    m-xylene 166.88
    p-xylene 167.66
    chlorobenzene 414.74
    dimethyl carbonate 288.85
    n-octane 9.9
    formamide 136.8
    cyclopentanone 823.74
    2-pentanone 376.57
    anisole 235.12
    cyclopentyl methyl ether 438.67
    gamma-butyrolactone 997.37
    1-methoxy-2-propanol 178.1
    pyridine 452.31
    3-pentanone 445.33
    furfural 579.81
    n-dodecane 6.2
    diethylene glycol 65.15
    diisopropyl ether 91.1
    tert-amyl alcohol 164.49
    acetylacetone 562.96
    n-hexadecane 7.35
    acetophenone 331.92
    methyl propionate 482.94
    isopentyl acetate 230.29
    trichloroethylene 1634.19
    n-nonanol 62.77
    cyclohexanol 158.24
    benzyl alcohol 149.76
    2-ethylhexanol 54.32
    isooctanol 61.4
    dipropyl ether 102.14
    1,2-dichlorobenzene 482.84
    ethyl lactate 137.3
    propylene carbonate 565.64
    n-methylformamide 208.17
    2-pentanol 90.46
    n-pentane 24.2
    1-propoxy-2-propanol 143.63
    1-methoxy-2-propyl acetate 320.6
    2-(2-methoxypropoxy) propanol 169.69
    mesitylene 97.42
    ε-caprolactone 781.44
    p-cymene 61.17
    epichlorohydrin 940.69
    1,1,1-trichloroethane 992.04
    2-aminoethanol 28.89
    morpholine-4-carbaldehyde 662.84
    sulfolane 1162.93
    2,2,4-trimethylpentane 27.22
    2-methyltetrahydrofuran 563.92
    n-hexyl acetate 299.89
    isooctane 10.1
    2-(2-butoxyethoxy)ethanol 196.42
    sec-butyl acetate 251.12
    tert-butyl acetate 393.76
    decalin 33.26
    glycerin 36.86
    diglyme 443.56
    acrylic acid 212.87
    isopropyl myristate 83.85
    n-butyric acid 320.15
    acetyl acetate 452.05
    di(2-ethylhexyl) phthalate 92.94
    ethyl propionate 324.42
    nitromethane 677.74
    1,2-diethoxyethane 263.54
    benzonitrile 175.84
    trioctyl phosphate 61.59
    1-bromopropane 352.98
    gamma-valerolactone 896.32
    n-decanol 39.15
    triethyl phosphate 143.52
    4-methyl-2-pentanol 57.52
    propionitrile 134.73
    vinylene carbonate 490.12
    1,1,2-trichlorotrifluoroethane 604.6
    DMS 379.68
    cumene 81.4
    2-octanol 57.12
    2-hexanone 249.74
    octyl acetate 123.7
    limonene 98.95
    1,2-dimethoxyethane 270.94
    ethyl orthosilicate 126.88
    tributyl phosphate 88.46
    diacetone alcohol 292.79
    N,N-dimethylaniline 177.57
    acrylonitrile 176.1
    aniline 225.67
    1,3-propanediol 53.1
    bromobenzene 499.22
    dibromomethane 698.48
    1,1,2,2-tetrachloroethane 1294.76
    2-methyl-cyclohexyl acetate 180.78
    tetrabutyl urea 122.36
    diisobutyl methanol 36.45
    2-phenylethanol 118.98
    styrene 157.43
    dioctyl adipate 144.37
    dimethyl sulfate 583.6
    ethyl butyrate 211.66
    methyl lactate 201.75
    butyl lactate 202.0
    diethyl carbonate 151.37
    propanediol butyl ether 112.53
    triethyl orthoformate 161.21
    p-tert-butyltoluene 58.24
    methyl 4-tert-butylbenzoate 304.11
    morpholine 370.18
    tert-butylamine 59.05
    n-dodecanol 26.92
    dimethoxymethane 308.15
    ethylene carbonate 419.89
    cyrene 216.74
    2-ethoxyethyl acetate 487.88
    2-ethylhexyl acetate 197.26
    1,2,4-trichlorobenzene 653.03
    4-methylpyridine 502.39
    dibutyl ether 105.61
    2,6-dimethyl-4-heptanol 36.45
    DEF 566.3
    dimethyl isosorbide 339.23
    tetrachloroethylene 825.23
    eugenol 204.41
    triacetin 423.44
    span 80 145.48
    1,4-butanediol 31.07
    1,1-dichloroethane 734.64
    2-methyl-1-pentanol 99.38
    methyl formate 172.13
    2-methyl-1-butanol 104.02
    n-decane 12.56
    butyronitrile 122.03
    3,7-dimethyl-1-octanol 61.05
    1-chlorooctane 71.4
    1-chlorotetradecane 23.36
    n-nonane 11.48
    undecane 8.26
    tert-butylcyclohexane 25.14
    cyclooctane 22.28
    cyclopentanol 189.45
    tetrahydropyran 367.17
    tert-amyl methyl ether 270.7
    2,5,8-trioxanonane 244.34
    1-hexene 83.34
    2-isopropoxyethanol 145.94
    2,2,2-trifluoroethanol 232.19
    methyl butyrate 368.19

    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