Trimethyl 1,2,4-benzenetricarboxylate

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  • Identifiers

    CAS number
    2459-10-1

    Molecular formula
    C12H12O6

    SMILES
    COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 57.7%
    Fruity 34.53%
    Winey 34.03%
    Grape 33.17%
    Floral 32.13%
    Ethereal 26.83%
    Phenolic 26.03%
    Sweet 24.77%
    Burnt 24.39%
    Herbal 23.91%

     

    Flavor
    Bitter 57.64%
    Odorless 29.77%
    Fruity 25.94%
    Aniseed 21.99%
    Wintergreen 21.73%
    Bland 21.41%
    Orange flower 21.02%
    Tarragon 20.99%
    Broom 20.81%
    Parsley 20.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    3.96 (weak acid)

    Molecular weight
    252.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -13 °C

    Boiling point

    • 194 °C at 12 mm Hg

    Flash point

    • 165.83 ˚C est.

  • Synonyms

    • Trimethyl trimellitate
    • 2459-10-1
    • Trimethyl benzene-1,2,4-tricarboxylate
    • TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE
    • 1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester
    • Methyl trimellitate
    • Trimellitic acid trimethyl ester
    • 1,2,4-Benzenetricarboxylic acid, trimethyl ester
    • DTXSID8044620
    • 16O7DT5N66
    • DTXCID6024620
    • HSDB 5880
    • EINECS 219-547-3
    • AI3-08219
    • 1,2,4-BENZENETRICARBOXYLIC ACID, TRIMETHYL
    • TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE [HSDB]
    • RefChem:899737
    • Trimethyl benzene1,2,4tricarboxylate
    • 1,2,4Benzenetricarboxylic acid, trimethyl ester
    • 1,2,4Benzenetricarboxylic acid, 1,2,4trimethyl ester
    • 219-547-3
    • MFCD00043629
    • TRIMETHYL1,2,4-BENZENETRICARBOXYLATE
    • 1,2,4-trimethyl benzene-1,2,4-tricarboxylate
    • 1,2,4-Benzenetricarboxylic Acid Trimethyl Ester
    • benzene-1,2,4-tricarboxylic acid trimethyl ester
    • SCHEMBL126043
    • UNII-16O7DT5N66
    • CHEMBL3183850
    • SCHEMBL29492994
    • 1,2,4-Tris(methoxycarbonyl)benzene
    • Tox21_302449
    • SBB007965
    • AKOS025116660
    • methyl 2,4-bis(methoxycarbonyl)benzoate
    • methyl 2,5-bis(methoxycarbonyl)benzoate
    • NCGC00256621-01
    • AS-69579
    • SY049397
    • CAS-2459-10-1
    • CS-0204614
    • NS00046154
    • ST50406489
    • T1229
    • Trimethyl 1,2,4-benzenetricarboxylate, 98%
    • Q27251833
    • InChI=1/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H
    • 2459-10-1

  • Applications

    Trimethyl 1,2,4-benzenetricarboxylate, CAS 2459-10-1, is mainly used as an organic-synthesis intermediate and serves as a multifunctional building block for polymer systems; it can be employed as a protecting group for the three carboxyl groups in multi-step syntheses and subsequently participate in transformations to yield monomers or crosslinkers for polyesters, epoxies, and polyurethanes; in coatings and adhesives, it often serves as a precursor to form networks through crosslinking and to tune resin properties; from a materials perspective, it is studied as a rigid benzene-triester core for high-performance polymers and dielectric/insulating materials; additional applications may include synthesis of useful derivatives for advanced polymer architectures, depending on experimental conditions and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.15
    methanol 6.84
    isopropanol 3.84
    water 0.11
    ethyl acetate 41.99
    n-propanol 3.85
    acetone 47.35
    n-butanol 3.32
    acetonitrile 31.42
    DMF 208.66
    toluene 12.17
    isobutanol 3.07
    1,4-dioxane 47.79
    methyl acetate 48.08
    THF 75.67
    2-butanone 39.37
    n-pentanol 3.92
    sec-butanol 6.01
    n-hexane 0.91
    ethylene glycol 2.86
    NMP 298.85
    cyclohexane 1.0
    DMSO 190.98
    n-butyl acetate 24.64
    n-octanol 2.81
    chloroform 109.91
    n-propyl acetate 23.65
    acetic acid 29.9
    dichloromethane 140.8
    cyclohexanone 47.2
    propylene glycol 2.13
    isopropyl acetate 24.84
    DMAc 244.52
    2-ethoxyethanol 26.14
    isopentanol 4.38
    n-heptane 0.63
    ethyl formate 21.04
    1,2-dichloroethane 91.92
    n-hexanol 4.9
    2-methoxyethanol 33.29
    isobutyl acetate 7.68
    tetrachloromethane 12.85
    n-pentyl acetate 13.13
    transcutol 53.68
    n-heptanol 3.45
    ethylbenzene 12.31
    MIBK 16.9
    2-propoxyethanol 27.05
    tert-butanol 9.92
    MTBE 22.9
    2-butoxyethanol 13.66
    propionic acid 17.17
    o-xylene 17.37
    formic acid 23.34
    diethyl ether 24.26
    m-xylene 9.5
    p-xylene 12.79
    chlorobenzene 23.1
    dimethyl carbonate 54.26
    n-octane 0.32
    formamide 80.99
    cyclopentanone 95.81
    2-pentanone 27.3
    anisole 44.35
    cyclopentyl methyl ether 32.73
    gamma-butyrolactone 149.52
    1-methoxy-2-propanol 22.64
    pyridine 69.55
    3-pentanone 37.29
    furfural 141.62
    n-dodecane 0.23
    diethylene glycol 23.22
    diisopropyl ether 7.71
    tert-amyl alcohol 14.91
    acetylacetone 60.69
    n-hexadecane 0.29
    acetophenone 56.48
    methyl propionate 53.52
    isopentyl acetate 20.04
    trichloroethylene 213.27
    n-nonanol 3.14
    cyclohexanol 6.75
    benzyl alcohol 22.2
    2-ethylhexanol 5.19
    isooctanol 3.28
    dipropyl ether 13.33
    1,2-dichlorobenzene 39.08
    ethyl lactate 16.18
    propylene carbonate 53.21
    n-methylformamide 60.21
    2-pentanol 4.11
    n-pentane 0.59
    1-propoxy-2-propanol 19.75
    1-methoxy-2-propyl acetate 43.51
    2-(2-methoxypropoxy) propanol 25.37
    mesitylene 6.49
    ε-caprolactone 54.68
    p-cymene 8.03
    epichlorohydrin 144.3
    1,1,1-trichloroethane 52.71
    2-aminoethanol 4.31
    morpholine-4-carbaldehyde 185.87
    sulfolane 223.7
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 49.33
    n-hexyl acetate 14.96
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 20.91
    sec-butyl acetate 15.44
    tert-butyl acetate 35.27
    decalin 1.64
    glycerin 8.59
    diglyme 72.97
    acrylic acid 25.74
    isopropyl myristate 6.12
    n-butyric acid 13.91
    acetyl acetate 33.18
    di(2-ethylhexyl) phthalate 9.05
    ethyl propionate 32.68
    nitromethane 152.03
    1,2-diethoxyethane 25.3
    benzonitrile 23.14
    trioctyl phosphate 5.0
    1-bromopropane 22.58
    gamma-valerolactone 119.51
    n-decanol 2.25
    triethyl phosphate 25.23
    4-methyl-2-pentanol 3.22
    propionitrile 16.75
    vinylene carbonate 52.47
    1,1,2-trichlorotrifluoroethane 118.87
    DMS 39.81
    cumene 8.13
    2-octanol 2.56
    2-hexanone 18.19
    octyl acetate 8.07
    limonene 10.18
    1,2-dimethoxyethane 71.49
    ethyl orthosilicate 20.72
    tributyl phosphate 7.76
    diacetone alcohol 33.04
    N,N-dimethylaniline 40.18
    acrylonitrile 36.0
    aniline 22.09
    1,3-propanediol 6.07
    bromobenzene 23.16
    dibromomethane 65.99
    1,1,2,2-tetrachloroethane 145.26
    2-methyl-cyclohexyl acetate 21.63
    tetrabutyl urea 12.9
    diisobutyl methanol 4.4
    2-phenylethanol 19.8
    styrene 15.31
    dioctyl adipate 13.54
    dimethyl sulfate 149.55
    ethyl butyrate 25.21
    methyl lactate 28.13
    butyl lactate 10.91
    diethyl carbonate 23.67
    propanediol butyl ether 8.0
    triethyl orthoformate 22.47
    p-tert-butyltoluene 7.65
    methyl 4-tert-butylbenzoate 37.02
    morpholine 54.82
    tert-butylamine 5.86
    n-dodecanol 1.67
    dimethoxymethane 81.05
    ethylene carbonate 33.98
    cyrene 43.03
    2-ethoxyethyl acetate 28.5
    2-ethylhexyl acetate 16.53
    1,2,4-trichlorobenzene 55.31
    4-methylpyridine 58.31
    dibutyl ether 6.35
    2,6-dimethyl-4-heptanol 4.4
    DEF 84.44
    dimethyl isosorbide 71.82
    tetrachloroethylene 101.64
    eugenol 28.82
    triacetin 32.58
    span 80 13.19
    1,4-butanediol 3.31
    1,1-dichloroethane 43.23
    2-methyl-1-pentanol 5.66
    methyl formate 53.18
    2-methyl-1-butanol 4.87
    n-decane 0.45
    butyronitrile 10.0
    3,7-dimethyl-1-octanol 3.79
    1-chlorooctane 3.11
    1-chlorotetradecane 1.2
    n-nonane 0.38
    undecane 0.31
    tert-butylcyclohexane 1.29
    cyclooctane 0.5
    cyclopentanol 8.53
    tetrahydropyran 22.49
    tert-amyl methyl ether 26.42
    2,5,8-trioxanonane 48.13
    1-hexene 3.97
    2-isopropoxyethanol 17.65
    2,2,2-trifluoroethanol 34.39
    methyl butyrate 35.5

    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