2-Ethylhexyl fumarate

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  • Identifiers

    CAS number
    141-02-6

    Molecular formula
    C20H36O4

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 58.06%
    Herbal 48.53%
    Oily 40.2%
    Fatty 31.82%
    Lactonic 28.43%
    Fresh 25.96%
    Peach 25.83%
    Floral 24.47%
    Waxy 23.98%
    Odorless 23.95%

     

    Flavor
    Fruity 40.56%
    Green 34.72%
    Waxy 34.56%
    Oily 30.94%
    Herbal 29.73%
    Fatty 24.0%
    Cucumber skin 20.05%
    Pear skin 19.94%
    Mild 19.91%
    Marigold 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.86 (neutral)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 171.43 ˚C est.

  • Synonyms

    • Bis(2-ethylhexyl) fumarate
    • 141-02-6
    • Di(2-ethylhexyl) fumarate
    • 2-Ethylhexyl fumarate
    • RC Comonomer DOF
    • DIETHYLHEXYL FUMARATE
    • EINECS 205-448-2
    • 2-Butenedioic acid, bis(2-ethylhexyl) ester
    • FUMARIC ACID, BIS(2-ETHYLHEXYL) ESTER
    • 2-Butenedioic acid (2E)-, 1,4-bis(2-ethylhexyl) ester
    • 2-BUTENEDIOIC ACID (E)-, BIS(2-ETHYLHEXYL) ESTER
    • BRN 1729134
    • 2-Butenedioic acid (2E)-, bis(2-ethylhexyl) ester
    • AI3-17415
    • 19Q90W09ES
    • BERNEL ESTER 284
    • Bis-(2-ethylhexyl)ester kyseliny fumarove [Czech]
    • 2-Butenedioic acid, (E)-, bis(2-ethylhexyl) ester
    • Bis-(2-ethylhexyl)ester kyseliny fumarove
    • DTXSID2051710
    • EC 205-448-2
    • Di(2ethylhexyl) fumarate
    • RefChem:471989
    • Bis(2ethylhexyl) fumarate
    • DTXCID8030265
    • DIETHYLHEXYL FUMARATE [INCI]
    • Fumaric acid, bis(2ethylhexyl) ester
    • Bis(2ethylhexyl)ester kyseliny fumarove
    • (+-)-DI(2-ETHYLHEXYL) FUMARATE
    • 2Butenedioic acid, bis(2ethylhexyl) ester
    • DI(2-ETHYLHEXYL) FUMARATE, (+-)-
    • 2Butenedioic acid (E), bis(2ethylhexyl) ester
    • 2Butenedioic acid (2E), bis(2ethylhexyl) ester
    • 2Butenedioic acid (2E), 1,4bis(2ethylhexyl) ester
    • Dioctyl fumarate
    • bis(2-ethylhexyl) (E)-but-2-enedioate
    • Fumaric Acid Di(2-ethylhexyl) Ester
    • MFCD00065144
    • DEHF
    • 4-02-00-02211 (Beilstein Handbook Reference)
    • UNII-19Q90W09ES
    • DI-2-ETHYLHEXYL FUMARATE
    • Fumaric Acid Dioctyl Ester
    • SCHEMBL226708
    • NSC6375
    • MSK14294
    • NSC-6375
    • BIS-(2-ETHYLHEXYL) FUMARATE
    • NSC163916
    • AKOS015836350
    • FB62551
    • MSK14294-1000A
    • NSC-163916
    • SY053577
    • Bis(2-ethylhexyl) (2E)-but-2-enedioate
    • (+/-)-DI(2-ETHYLHEXYL) FUMARATE
    • di2-ethylhexyl (2E)but-2-ene-1,4-dioate
    • CS-0435508
    • Dioctyl fumarate (Di-2-ethylhexyl fumarate)
    • F0117
    • NS00076528
    • ST50409388
    • DI(2-ETHYLHEXYL) FUMARATE, (+/-)-
    • 2-Butenedioic acid, 1,4-bis(2-ethylhexyl) ester
    • Q27252126
    • Bis(2-ethylhexyl) fumarate Solution in Acetonitrile, 1000ug/mL
    • 141-02-6

  • Applications

    2-Ethylhexyl fumarate, a diester of fumaric acid, is primarily used as a plasticizer for polymers, particularly PVC, to improve flexibility and processability at lower temperatures. It is also employed as a processing aid and additive in coatings, inks, and adhesives, providing increased ductility and compatibility with resin systems. As an ester of fumaric acid, it can serve as an intermediate in the synthesis of specialty resins and functional polymers, and may act as a reactive diluent or co-monomer in UV-curable coatings to reduce viscosity and enable network formation. In industrial manufacturing contexts, it may be considered as a non-phthalate plasticizer option, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.23
    methanol 111.37
    isopropanol 114.73
    water 0.06
    ethyl acetate 958.7
    n-propanol 128.0
    acetone 613.41
    n-butanol 124.16
    acetonitrile 314.0
    DMF 827.93
    toluene 426.54
    isobutanol 115.72
    1,4-dioxane 512.22
    methyl acetate 697.75
    THF 1377.43
    2-butanone 788.8
    n-pentanol 127.65
    sec-butanol 160.01
    n-hexane 31.94
    ethylene glycol 6.81
    NMP 1610.0
    cyclohexane 89.15
    DMSO 727.61
    n-butyl acetate 598.76
    n-octanol 92.49
    chloroform 1921.67
    n-propyl acetate 700.28
    acetic acid 229.45
    dichloromethane 2548.35
    cyclohexanone 1414.69
    propylene glycol 20.0
    isopropyl acetate 729.01
    DMAc 1641.7
    2-ethoxyethanol 311.62
    isopentanol 164.27
    n-heptane 15.95
    ethyl formate 263.21
    1,2-dichloroethane 1761.59
    n-hexanol 108.12
    2-methoxyethanol 292.49
    isobutyl acetate 410.25
    tetrachloromethane 270.18
    n-pentyl acetate 547.33
    transcutol 1329.78
    n-heptanol 85.56
    ethylbenzene 226.38
    MIBK 472.13
    2-propoxyethanol 293.13
    tert-butanol 200.31
    MTBE 488.91
    2-butoxyethanol 264.79
    propionic acid 216.19
    o-xylene 305.85
    formic acid 43.77
    diethyl ether 382.9
    m-xylene 262.34
    p-xylene 326.76
    chlorobenzene 669.35
    dimethyl carbonate 221.11
    n-octane 11.45
    formamide 139.99
    cyclopentanone 1545.15
    2-pentanone 686.67
    anisole 493.19
    cyclopentyl methyl ether 779.72
    gamma-butyrolactone 1539.45
    1-methoxy-2-propanol 304.27
    pyridine 937.59
    3-pentanone 638.48
    furfural 991.79
    n-dodecane 8.78
    diethylene glycol 110.7
    diisopropyl ether 160.41
    tert-amyl alcohol 258.65
    acetylacetone 972.37
    n-hexadecane 10.88
    acetophenone 631.41
    methyl propionate 623.64
    isopentyl acetate 611.52
    trichloroethylene 2991.37
    n-nonanol 94.68
    cyclohexanol 255.27
    benzyl alcohol 263.61
    2-ethylhexanol 107.54
    isooctanol 89.79
    dipropyl ether 184.94
    1,2-dichlorobenzene 745.16
    ethyl lactate 194.7
    propylene carbonate 784.2
    n-methylformamide 267.34
    2-pentanol 123.74
    n-pentane 20.9
    1-propoxy-2-propanol 259.63
    1-methoxy-2-propyl acetate 648.78
    2-(2-methoxypropoxy) propanol 308.83
    mesitylene 160.98
    ε-caprolactone 1242.65
    p-cymene 117.89
    epichlorohydrin 1912.07
    1,1,1-trichloroethane 1512.74
    2-aminoethanol 33.79
    morpholine-4-carbaldehyde 923.38
    sulfolane 1797.29
    2,2,4-trimethylpentane 28.38
    2-methyltetrahydrofuran 1170.52
    n-hexyl acetate 538.71
    isooctane 15.7
    2-(2-butoxyethoxy)ethanol 378.11
    sec-butyl acetate 574.76
    tert-butyl acetate 793.73
    decalin 58.78
    glycerin 34.78
    diglyme 921.69
    acrylic acid 159.79
    isopropyl myristate 168.35
    n-butyric acid 435.16
    acetyl acetate 632.73
    di(2-ethylhexyl) phthalate 149.89
    ethyl propionate 668.8
    nitromethane 841.05
    1,2-diethoxyethane 611.56
    benzonitrile 384.76
    trioctyl phosphate 93.97
    1-bromopropane 765.5
    gamma-valerolactone 1610.77
    n-decanol 61.55
    triethyl phosphate 226.69
    4-methyl-2-pentanol 99.82
    propionitrile 286.64
    vinylene carbonate 558.17
    1,1,2-trichlorotrifluoroethane 787.14
    DMS 462.12
    cumene 141.62
    2-octanol 80.64
    2-hexanone 546.88
    octyl acetate 210.3
    limonene 189.71
    1,2-dimethoxyethane 773.81
    ethyl orthosilicate 206.75
    tributyl phosphate 151.26
    diacetone alcohol 530.74
    N,N-dimethylaniline 322.92
    acrylonitrile 334.92
    aniline 319.48
    1,3-propanediol 77.73
    bromobenzene 858.35
    dibromomethane 1452.04
    1,1,2,2-tetrachloroethane 2350.01
    2-methyl-cyclohexyl acetate 399.03
    tetrabutyl urea 202.05
    diisobutyl methanol 82.43
    2-phenylethanol 226.24
    styrene 302.33
    dioctyl adipate 275.14
    dimethyl sulfate 483.15
    ethyl butyrate 464.76
    methyl lactate 188.34
    butyl lactate 311.25
    diethyl carbonate 283.59
    propanediol butyl ether 179.64
    triethyl orthoformate 289.65
    p-tert-butyltoluene 112.01
    methyl 4-tert-butylbenzoate 419.97
    morpholine 752.54
    tert-butylamine 128.58
    n-dodecanol 43.54
    dimethoxymethane 510.69
    ethylene carbonate 498.78
    cyrene 320.96
    2-ethoxyethyl acetate 732.46
    2-ethylhexyl acetate 491.95
    1,2,4-trichlorobenzene 878.52
    4-methylpyridine 1018.38
    dibutyl ether 233.96
    2,6-dimethyl-4-heptanol 82.43
    DEF 1007.53
    dimethyl isosorbide 719.47
    tetrachloroethylene 1346.52
    eugenol 321.7
    triacetin 560.74
    span 80 228.71
    1,4-butanediol 39.09
    1,1-dichloroethane 1452.04
    2-methyl-1-pentanol 179.26
    methyl formate 193.22
    2-methyl-1-butanol 162.63
    n-decane 17.13
    butyronitrile 287.99
    3,7-dimethyl-1-octanol 121.28
    1-chlorooctane 125.46
    1-chlorotetradecane 39.76
    n-nonane 15.47
    undecane 11.61
    tert-butylcyclohexane 42.45
    cyclooctane 24.86
    cyclopentanol 266.64
    tetrahydropyran 751.72
    tert-amyl methyl ether 458.02
    2,5,8-trioxanonane 512.75
    1-hexene 138.47
    2-isopropoxyethanol 276.19
    2,2,2-trifluoroethanol 116.14
    methyl butyrate 866.66

    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