Triethyl ethane-1,1,2-tricarboxylate

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  • Identifiers

    CAS number
    7459-46-3

    Molecular formula
    C11H18O6

    SMILES
    CCOC(=O)CC(C(=O)OCC)C(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 86.86%
    Winey 68.84%
    Apple 66.91%
    Green 58.17%
    Sweet 42.57%
    Herbal 37.63%
    Ethereal 35.39%
    Pineapple 31.61%
    Tropical 31.59%
    Oily 31.19%

     

    Flavor
    Fruity 59.04%
    Bitter 54.46%
    Mild 45.39%
    Wine 38.28%
    Odorless 31.19%
    Waxy 29.96%
    Apple 28.49%
    Grape 28.06%
    Fatty 26.41%
    Fruit 26.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.66 (weak acid)

    Molecular weight
    246.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 121.23 ˚C est.

  • Synonyms

    • 7459-46-3
    • Triethyl ethane-1,1,2-tricarboxylate
    • Triethyl 1,1,2-ethanetricarboxylate
    • 1,1,2-Ethanetricarboxylic acid, triethyl ester
    • EINECS 231-235-9
    • AI3-03323
    • DTXSID70225561
    • NSC 78463
    • RefChem:899476
    • DTXCID00148052
    • 231-235-9
    • InChI=1/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H
    • MFCD00009154
    • 1,1,2-triethyl ethane-1,1,2-tricarboxylate
    • 2-ethoxycarbonyl-succinic acid diethyl ester
    • Triethyl ethane-1,2,2-tricarboxylate
    • Triethyl ethane tricarboxylate
    • 1,1,2-Ethanetricarboxylic Acid 1,1,2-Triethyl Ester
    • NSC-78463
    • Ethane-1,1,2-tricarboxylic acid, triethyl ester
    • diethyl 2-(ethoxycarbonyl)butane-1,4-dioate
    • ethane-1,1,2-tricarboxylic acid triethyl ester
    • 1,2-Tricarbethoxyethane
    • K6LNB6UH4U
    • 1,1,2-Ethanetricarboxylic Acid Triethyl Ester
    • 1,1,2-Tricarbethoxyethane
    • Diethyl-2-carbethoxysuccinate
    • SCHEMBL430204
    • SCHEMBL8584545
    • Triethyl ethane-1,2-tricarboxylate
    • NSC78463
    • SBB057744
    • triethyl 1,1,2-ethane tricarboxylate
    • AKOS000265555
    • Diethyl 2-(Ethoxycarbonyl)butanedioate
    • Triethyl 1,1,2 -ethanetricarboxylate
    • CS-W002048
    • DS-16723
    • SY024714
    • Triethyl 1,1,2-ethanetricarboxylate, 99%
    • 1,2-Ethanetricarboxylic acid, triethyl ester
    • NS00037633
    • ST45028979
    • T2431
    • Ethane-1,2-tricarboxylic acid, triethyl ester
    • EN300-109415
    • 2-(Ethoxycarbonyl)butanedioic Acid Diethyl Ester
    • F024178
    • 1,1,2-Ethanetricarboxylic acid, 1,1,2-triethyl ester
    • Z1424561446
    • 7459-46-3

  • Applications

    Triethyl ethane-1,1,2-tricarboxylate (CAS 7459-46-3) is primarily used as a non-phthalate plasticizer and processing aid for polymers and coatings, including PVC, nitrocellulose, cellulose derivatives, polyester, and adhesives. It also acts as a relatively low-volatility solvent and carrier in coatings, inks, and fragrance/cosmetic formulations, aiding dissolution and film formation. In perfumery and flavor applications, it may be used as a solvent for aroma compounds and as a vehicle in formulations. The substance is also utilized as an intermediate in organic synthesis to prepare ester derivatives and to tune polarity in complex formulations. Additionally, it finds use in household products and personal care as a solvent component in formulations, contributing to evaporation characteristics and texture. Subject to local regulations and formulation limits, TEC is valued for its balance of performance and lower toxicity relative to phthalate plasticizers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.56
    methanol 123.77
    isopropanol 56.33
    water 2.1
    ethyl acetate 420.04
    n-propanol 55.39
    acetone 688.52
    n-butanol 45.93
    acetonitrile 581.17
    DMF 1965.93
    toluene 195.54
    isobutanol 48.64
    1,4-dioxane 456.63
    methyl acetate 578.67
    THF 726.04
    2-butanone 404.27
    n-pentanol 38.19
    sec-butanol 57.99
    n-hexane 14.38
    ethylene glycol 39.14
    NMP 4069.42
    cyclohexane 20.29
    DMSO 2424.38
    n-butyl acetate 201.14
    n-octanol 23.26
    chloroform 1018.95
    n-propyl acetate 222.92
    acetic acid 621.13
    dichloromethane 1410.84
    cyclohexanone 642.34
    propylene glycol 33.09
    isopropyl acetate 220.38
    DMAc 2802.53
    2-ethoxyethanol 185.34
    isopentanol 52.97
    n-heptane 5.73
    ethyl formate 325.37
    1,2-dichloroethane 945.71
    n-hexanol 30.96
    2-methoxyethanol 338.22
    isobutyl acetate 101.91
    tetrachloromethane 119.13
    n-pentyl acetate 88.48
    transcutol 488.23
    n-heptanol 16.94
    ethylbenzene 130.41
    MIBK 127.14
    2-propoxyethanol 152.37
    tert-butanol 97.25
    MTBE 151.49
    2-butoxyethanol 75.15
    propionic acid 251.5
    o-xylene 180.98
    formic acid 335.54
    diethyl ether 135.2
    m-xylene 118.69
    p-xylene 186.66
    chlorobenzene 474.16
    dimethyl carbonate 448.43
    n-octane 2.52
    formamide 789.61
    cyclopentanone 1081.97
    2-pentanone 246.91
    anisole 393.0
    cyclopentyl methyl ether 326.41
    gamma-butyrolactone 1956.25
    1-methoxy-2-propanol 202.89
    pyridine 775.26
    3-pentanone 315.02
    furfural 2033.57
    n-dodecane 2.24
    diethylene glycol 146.98
    diisopropyl ether 43.34
    tert-amyl alcohol 105.89
    acetylacetone 686.66
    n-hexadecane 2.72
    acetophenone 574.97
    methyl propionate 465.91
    isopentyl acetate 173.9
    trichloroethylene 2135.62
    n-nonanol 22.85
    cyclohexanol 93.84
    benzyl alcohol 213.07
    2-ethylhexanol 33.06
    isooctanol 16.58
    dipropyl ether 63.72
    1,2-dichlorobenzene 591.6
    ethyl lactate 120.72
    propylene carbonate 947.29
    n-methylformamide 729.88
    2-pentanol 36.5
    n-pentane 8.09
    1-propoxy-2-propanol 100.67
    1-methoxy-2-propyl acetate 290.74
    2-(2-methoxypropoxy) propanol 176.98
    mesitylene 68.28
    ε-caprolactone 740.27
    p-cymene 57.0
    epichlorohydrin 1464.98
    1,1,1-trichloroethane 673.05
    2-aminoethanol 58.62
    morpholine-4-carbaldehyde 1871.48
    sulfolane 3243.59
    2,2,4-trimethylpentane 9.69
    2-methyltetrahydrofuran 502.41
    n-hexyl acetate 127.67
    isooctane 3.56
    2-(2-butoxyethoxy)ethanol 145.23
    sec-butyl acetate 151.53
    tert-butyl acetate 229.8
    decalin 22.92
    glycerin 99.81
    diglyme 428.08
    acrylic acid 372.51
    isopropyl myristate 48.59
    n-butyric acid 249.25
    acetyl acetate 532.42
    di(2-ethylhexyl) phthalate 80.82
    ethyl propionate 287.0
    nitromethane 2609.5
    1,2-diethoxyethane 148.34
    benzonitrile 391.48
    trioctyl phosphate 39.1
    1-bromopropane 227.72
    gamma-valerolactone 1632.34
    n-decanol 15.87
    triethyl phosphate 169.73
    4-methyl-2-pentanol 24.68
    propionitrile 213.52
    vinylene carbonate 913.42
    1,1,2-trichlorotrifluoroethane 1154.26
    DMS 392.93
    cumene 82.58
    2-octanol 13.89
    2-hexanone 168.82
    octyl acetate 63.36
    limonene 78.93
    1,2-dimethoxyethane 504.91
    ethyl orthosilicate 128.28
    tributyl phosphate 74.87
    diacetone alcohol 213.08
    N,N-dimethylaniline 330.16
    acrylonitrile 465.18
    aniline 277.97
    1,3-propanediol 81.92
    bromobenzene 523.98
    dibromomethane 692.1
    1,1,2,2-tetrachloroethane 1424.58
    2-methyl-cyclohexyl acetate 178.17
    tetrabutyl urea 119.6
    diisobutyl methanol 23.88
    2-phenylethanol 125.88
    styrene 190.16
    dioctyl adipate 122.49
    dimethyl sulfate 1497.86
    ethyl butyrate 189.3
    methyl lactate 254.4
    butyl lactate 89.34
    diethyl carbonate 190.8
    propanediol butyl ether 74.73
    triethyl orthoformate 138.28
    p-tert-butyltoluene 50.75
    methyl 4-tert-butylbenzoate 246.96
    morpholine 504.26
    tert-butylamine 57.35
    n-dodecanol 11.92
    dimethoxymethane 552.13
    ethylene carbonate 619.52
    cyrene 349.42
    2-ethoxyethyl acetate 199.24
    2-ethylhexyl acetate 156.8
    1,2,4-trichlorobenzene 793.29
    4-methylpyridine 927.97
    dibutyl ether 50.92
    2,6-dimethyl-4-heptanol 23.88
    DEF 690.3
    dimethyl isosorbide 522.25
    tetrachloroethylene 832.07
    eugenol 185.3
    triacetin 308.13
    span 80 105.82
    1,4-butanediol 36.04
    1,1-dichloroethane 561.09
    2-methyl-1-pentanol 54.08
    methyl formate 667.34
    2-methyl-1-butanol 59.13
    n-decane 3.77
    butyronitrile 150.97
    3,7-dimethyl-1-octanol 33.15
    1-chlorooctane 25.21
    1-chlorotetradecane 10.9
    n-nonane 3.5
    undecane 2.8
    tert-butylcyclohexane 15.53
    cyclooctane 7.11
    cyclopentanol 133.57
    tetrahydropyran 240.0
    tert-amyl methyl ether 163.4
    2,5,8-trioxanonane 314.23
    1-hexene 45.01
    2-isopropoxyethanol 112.83
    2,2,2-trifluoroethanol 434.37
    methyl butyrate 367.26

    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