Trimethylolpropane triethylhexanoate

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  • Identifiers

    CAS number
    26086-33-9

    Molecular formula
    C30H56O6

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 60.7%
    Herbal 47.89%
    Woody 42.33%
    Oily 37.4%
    Fatty 30.94%
    Mint 25.09%
    Fresh 23.79%
    Dry 22.32%
    Waxy 21.96%
    Lactonic 20.15%

     

    Flavor
    Fruity 49.2%
    Waxy 42.94%
    Green 36.52%
    Oily 29.68%
    Mild 25.89%
    Apple 25.15%
    Fatty 24.6%
    Wine 24.13%
    Tropical 22.17%
    Sweet 22.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.4

    pKa est.
    5.86 (weak acid)

    Molecular weight
    512.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Flash point

    • 200.2 ˚C est.

  • Synonyms

    • Trimethylolpropane triethylhexanoate
    • 26086-33-9
    • Pelemol TMPO
    • Nikkol Trialan-308
    • Trimethylolpropane tris(2-ethylhexanoate)
    • B952ZGW1IL
    • NS-308
    • 1,1,1-Trimethylolpropane tris(2-ethylhexanoate)
    • DTXSID601021948
    • 2-Ethyl-2-(((1-oxo-2-ethylhexyl)oxy)methyl)-1,3-propanediyl 2-ethylhexanoate
    • Hexanoic acid, 2-ethyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
    • Hexanoic acid, 2-ethyl-, 2-ethyl-2-(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl ester
    • Hexanoic acid, 2-ethyl-, 1,1'-(2-ethyl-2-(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl) ester
    • Hexanoic acid, 2-ethyl-, 1,1'-[2-ethyl-2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester
    • Hexanoic acid, 2-ethyl-, 2-ethyl-2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl ester
    • RefChem:899868
    • DTXCID401506857
    • TRIMETHYLOLPROPANE TRIETHYLHEXANOATE [INCI]
    • 607-859-6
    • 2,2-bis(2-ethylhexanoyloxymethyl)butyl 2-ethylhexanoate
    • UNII-B952ZGW1IL
    • SCHEMBL80648
    • QOOJEEZYYXGPAO-UHFFFAOYSA-N
    • Q27274531
    • TRIMETHYLOLPROPANE TRIESTER WITH 2-ETHYLHEXANOIC ACID
    • Hexanoic acid,2-ethyl-,1,1'-[2-ethyl-2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl]ester
    • 26086-33-9

  • Applications

    Trimethylolpropane triethylhexanoate (CAS 26086-33-9) is primarily used as a plasticizer and processing aid in polymer formulations. It acts as an internal plasticizer for polyurethanes and other resins, imparting improved flexibility and toughness, and it can also serve as a viscous solvent or flow modifier in coatings, inks, and adhesive systems to lower viscosity and facilitate film formation. In plastics processing, it functions as a processing aid and as an additive to improve processability in thermoplastics such as PVC blends. It is commonly evaluated as an intermediate in the synthesis of specialty resins and coating components, contributing to long-term compatibility and performance. In some formulations it may be used as a processing solvent or plasticizer-like additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 291.3
    methanol 251.91
    isopropanol 350.71
    water 3.44
    ethyl acetate 1580.8
    n-propanol 422.24
    acetone 1235.31
    n-butanol 410.74
    acetonitrile 511.26
    DMF 1222.74
    toluene 973.13
    isobutanol 445.74
    1,4-dioxane 1244.07
    methyl acetate 1094.57
    THF 2417.27
    2-butanone 1363.9
    n-pentanol 400.38
    sec-butanol 587.44
    n-hexane 172.65
    ethylene glycol 37.63
    NMP 3299.7
    cyclohexane 461.02
    DMSO 978.2
    n-butyl acetate 909.24
    n-octanol 354.34
    chloroform 3257.79
    n-propyl acetate 1007.05
    acetic acid 916.9
    dichloromethane 3136.03
    cyclohexanone 3151.85
    propylene glycol 101.61
    isopropyl acetate 1299.08
    DMAc 2492.82
    2-ethoxyethanol 569.43
    isopentanol 466.72
    n-heptane 90.15
    ethyl formate 587.38
    1,2-dichloroethane 2018.18
    n-hexanol 297.3
    2-methoxyethanol 567.55
    isobutyl acetate 654.65
    tetrachloromethane 938.32
    n-pentyl acetate 1567.63
    transcutol 1995.22
    n-heptanol 355.53
    ethylbenzene 466.99
    MIBK 886.77
    2-propoxyethanol 541.02
    tert-butanol 498.28
    MTBE 837.32
    2-butoxyethanol 734.76
    propionic acid 835.88
    o-xylene 738.85
    formic acid 227.56
    diethyl ether 811.41
    m-xylene 630.12
    p-xylene 714.17
    chlorobenzene 1384.63
    dimethyl carbonate 588.61
    n-octane 63.05
    formamide 416.78
    cyclopentanone 2710.89
    2-pentanone 1350.44
    anisole 645.97
    cyclopentyl methyl ether 1756.15
    gamma-butyrolactone 2956.16
    1-methoxy-2-propanol 678.56
    pyridine 1553.49
    3-pentanone 1374.01
    furfural 1883.85
    n-dodecane 33.97
    diethylene glycol 218.86
    diisopropyl ether 387.21
    tert-amyl alcohol 751.15
    acetylacetone 1730.08
    n-hexadecane 39.76
    acetophenone 965.38
    methyl propionate 1260.2
    isopentyl acetate 862.94
    trichloroethylene 4019.98
    n-nonanol 342.48
    cyclohexanol 1056.94
    benzyl alcohol 520.5
    2-ethylhexanol 266.2
    isooctanol 361.38
    dipropyl ether 428.27
    1,2-dichlorobenzene 1397.74
    ethyl lactate 416.29
    propylene carbonate 1776.8
    n-methylformamide 573.09
    2-pentanol 468.22
    n-pentane 156.1
    1-propoxy-2-propanol 530.64
    1-methoxy-2-propyl acetate 915.74
    2-(2-methoxypropoxy) propanol 517.7
    mesitylene 400.02
    ε-caprolactone 3067.91
    p-cymene 246.45
    epichlorohydrin 2495.91
    1,1,1-trichloroethane 2701.01
    2-aminoethanol 135.43
    morpholine-4-carbaldehyde 1831.9
    sulfolane 3336.55
    2,2,4-trimethylpentane 146.99
    2-methyltetrahydrofuran 2075.66
    n-hexyl acetate 1452.06
    isooctane 57.41
    2-(2-butoxyethoxy)ethanol 683.03
    sec-butyl acetate 876.42
    tert-butyl acetate 1356.87
    decalin 181.79
    glycerin 156.81
    diglyme 1545.93
    acrylic acid 654.99
    isopropyl myristate 366.99
    n-butyric acid 1268.39
    acetyl acetate 1244.97
    di(2-ethylhexyl) phthalate 378.75
    ethyl propionate 1027.28
    nitromethane 1598.15
    1,2-diethoxyethane 983.32
    benzonitrile 710.0
    trioctyl phosphate 273.17
    1-bromopropane 1189.88
    gamma-valerolactone 3244.64
    n-decanol 205.03
    triethyl phosphate 433.18
    4-methyl-2-pentanol 291.73
    propionitrile 522.48
    vinylene carbonate 1483.42
    1,1,2-trichlorotrifluoroethane 1547.12
    DMS 1019.4
    cumene 304.67
    2-octanol 358.57
    2-hexanone 870.89
    octyl acetate 524.78
    limonene 438.16
    1,2-dimethoxyethane 929.0
    ethyl orthosilicate 412.41
    tributyl phosphate 328.36
    diacetone alcohol 976.54
    N,N-dimethylaniline 492.62
    acrylonitrile 556.87
    aniline 726.76
    1,3-propanediol 262.55
    bromobenzene 1658.49
    dibromomethane 2063.19
    1,1,2,2-tetrachloroethane 3115.18
    2-methyl-cyclohexyl acetate 634.69
    tetrabutyl urea 427.68
    diisobutyl methanol 182.52
    2-phenylethanol 405.53
    styrene 557.77
    dioctyl adipate 586.71
    dimethyl sulfate 1167.49
    ethyl butyrate 775.55
    methyl lactate 553.48
    butyl lactate 774.11
    diethyl carbonate 489.36
    propanediol butyl ether 540.3
    triethyl orthoformate 555.9
    p-tert-butyltoluene 238.6
    methyl 4-tert-butylbenzoate 1041.71
    morpholine 1448.65
    tert-butylamine 347.16
    n-dodecanol 137.52
    dimethoxymethane 912.58
    ethylene carbonate 1383.29
    cyrene 684.4
    2-ethoxyethyl acetate 1569.26
    2-ethylhexyl acetate 765.25
    1,2,4-trichlorobenzene 1765.37
    4-methylpyridine 1677.37
    dibutyl ether 521.07
    2,6-dimethyl-4-heptanol 182.52
    DEF 1545.09
    dimethyl isosorbide 1019.57
    tetrachloroethylene 2418.36
    eugenol 654.21
    triacetin 1335.53
    span 80 569.75
    1,4-butanediol 151.94
    1,1-dichloroethane 1920.03
    2-methyl-1-pentanol 472.58
    methyl formate 474.85
    2-methyl-1-butanol 546.57
    n-decane 76.06
    butyronitrile 542.16
    3,7-dimethyl-1-octanol 309.56
    1-chlorooctane 354.98
    1-chlorotetradecane 104.15
    n-nonane 73.76
    undecane 47.26
    tert-butylcyclohexane 134.25
    cyclooctane 153.55
    cyclopentanol 977.91
    tetrahydropyran 1715.2
    tert-amyl methyl ether 907.27
    2,5,8-trioxanonane 794.21
    1-hexene 383.49
    2-isopropoxyethanol 523.33
    2,2,2-trifluoroethanol 558.8
    methyl butyrate 1235.13

    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