Diisopropyl fumarate

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  • Identifiers

    CAS number
    7283-70-7

    Molecular formula
    C10H16O4

    SMILES
    CC(C)OC(=O)/C=C/C(=O)OC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.66%
    Apple 58.42%
    Winey 50.53%
    Sweet 42.21%
    Green 38.33%
    Caramellic 36.9%
    Herbal 36.6%
    Ethereal 32.58%
    Pineapple 31.93%
    Tropical 31.14%

     

    Flavor
    Fruity 74.66%
    Grape 25.69%
    Berry 23.93%
    Odorless 22.24%
    Creamy 20.23%
    Dried berry 20.12%
    Toffee 19.81%
    Mild 19.68%
    Marshmallow 19.66%
    Molasses 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.33 (neutral)

    Molecular weight
    200.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point

    • 101.55 ˚C est.

  • Synonyms

    • Diisopropyl fumarate
    • 7283-70-7
    • FUMARIC ACID, DIISOPROPYL ESTER
    • Diisopropylester kyseliny fumarove
    • UNII-POD4AH8070
    • POD4AH8070
    • 2-Butenedioic acid (E)-, bis(1-methylethyl) ester
    • 2-Butenedioic acid (2E)-, 1,4-bis(1-methylethyl) ester
    • EINECS 230-707-1
    • NSC 70161
    • NSC-70161
    • BRN 1726370
    • Diisopropylester kyseliny fumarove [Czech]
    • AI3-15489
    • 4-02-00-02209 (Beilstein Handbook Reference)
    • NSC-7016
    • 2-Butenedioic acid (E)-, bis(1-methylethyl) ester (9CI)
    • 2-Butenedioic acid, bis(1-methylethyl) ester, (E)-
    • 2-BUTENEDIOIC ACID (2E)-, BIS(1-METHYLETHYL) ESTER
    • RefChem:134067
    • 230-707-1
    • FNMTVMWFISHPEV-AATRIKPKSA-N
    • dipropan-2-yl (E)-but-2-enedioate
    • MFCD00545172
    • Fumaric Acid Diisopropyl Ester
    • SCHEMBL178194
    • CHEMBL4069580
    • Diisopropyl (2E)-2-butenedioate
    • DTXSID201032569
    • NSC70161
    • Diisopropyl (2E)-2-butenedioate #
    • WLN: 1Y1&OV1U1VOY1&1
    • STK331951
    • AKOS015915585
    • dipropan-2-yl (2E)-but-2-enedioate
    • LS-13849
    • SY052734
    • CS-0212724
    • D3916
    • NS00080772
    • D95948
    • F324095
    • Q27286669
    • 7283-70-7

  • Applications

    Diisopropyl fumarate is used primarily as an intermediate in the synthesis of specialty polymers and resins; it can function as a plasticizer and reactive diluent for polymer and coating formulations to adjust processability and final properties; in unsaturated polyester resin systems, it may act as a monomer or co-monomer participating in polymerization; it may also be used as a precursor for fragrance or cosmetic ingredient synthesis and as a processing solvent/vehicle in industrial formulations, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.23
    methanol 61.97
    isopropanol 30.73
    water 0.4
    ethyl acetate 162.55
    n-propanol 35.59
    acetone 256.71
    n-butanol 30.0
    acetonitrile 158.03
    DMF 722.92
    toluene 85.67
    isobutanol 27.45
    1,4-dioxane 110.79
    methyl acetate 201.35
    THF 331.96
    2-butanone 196.71
    n-pentanol 25.6
    sec-butanol 37.01
    n-hexane 16.05
    ethylene glycol 16.8
    NMP 1254.86
    cyclohexane 11.78
    DMSO 828.52
    n-butyl acetate 133.91
    n-octanol 20.62
    chloroform 546.66
    n-propyl acetate 103.74
    acetic acid 199.82
    dichloromethane 663.22
    cyclohexanone 285.81
    propylene glycol 21.73
    isopropyl acetate 100.19
    DMAc 969.53
    2-ethoxyethanol 77.93
    isopentanol 30.92
    n-heptane 6.06
    ethyl formate 111.66
    1,2-dichloroethane 379.11
    n-hexanol 29.14
    2-methoxyethanol 131.69
    isobutyl acetate 53.33
    tetrachloromethane 57.55
    n-pentyl acetate 61.04
    transcutol 290.94
    n-heptanol 12.66
    ethylbenzene 68.15
    MIBK 78.66
    2-propoxyethanol 94.91
    tert-butanol 45.01
    MTBE 83.1
    2-butoxyethanol 40.61
    propionic acid 117.72
    o-xylene 78.54
    formic acid 98.96
    diethyl ether 66.18
    m-xylene 60.2
    p-xylene 82.7
    chlorobenzene 192.51
    dimethyl carbonate 126.38
    n-octane 2.31
    formamide 197.14
    cyclopentanone 461.0
    2-pentanone 136.83
    anisole 152.4
    cyclopentyl methyl ether 149.32
    gamma-butyrolactone 658.64
    1-methoxy-2-propanol 102.8
    pyridine 250.71
    3-pentanone 145.73
    furfural 641.27
    n-dodecane 2.05
    diethylene glycol 72.06
    diisopropyl ether 25.0
    tert-amyl alcohol 60.59
    acetylacetone 278.76
    n-hexadecane 2.43
    acetophenone 228.62
    methyl propionate 183.68
    isopentyl acetate 118.52
    trichloroethylene 872.24
    n-nonanol 19.69
    cyclohexanol 47.78
    benzyl alcohol 93.04
    2-ethylhexanol 28.14
    isooctanol 12.06
    dipropyl ether 42.08
    1,2-dichlorobenzene 246.36
    ethyl lactate 68.6
    propylene carbonate 357.83
    n-methylformamide 236.39
    2-pentanol 25.56
    n-pentane 8.19
    1-propoxy-2-propanol 77.04
    1-methoxy-2-propyl acetate 169.69
    2-(2-methoxypropoxy) propanol 116.16
    mesitylene 35.78
    ε-caprolactone 304.04
    p-cymene 37.21
    epichlorohydrin 550.38
    1,1,1-trichloroethane 290.43
    2-aminoethanol 31.12
    morpholine-4-carbaldehyde 536.54
    sulfolane 1221.2
    2,2,4-trimethylpentane 8.25
    2-methyltetrahydrofuran 231.73
    n-hexyl acetate 98.34
    isooctane 3.55
    2-(2-butoxyethoxy)ethanol 89.29
    sec-butyl acetate 74.6
    tert-butyl acetate 122.7
    decalin 15.59
    glycerin 44.22
    diglyme 208.57
    acrylic acid 146.8
    isopropyl myristate 36.32
    n-butyric acid 120.1
    acetyl acetate 167.02
    di(2-ethylhexyl) phthalate 54.05
    ethyl propionate 119.68
    nitromethane 609.64
    1,2-diethoxyethane 86.68
    benzonitrile 142.89
    trioctyl phosphate 29.18
    1-bromopropane 148.15
    gamma-valerolactone 560.54
    n-decanol 14.12
    triethyl phosphate 91.64
    4-methyl-2-pentanol 17.89
    propionitrile 84.72
    vinylene carbonate 304.34
    1,1,2-trichlorotrifluoroethane 454.01
    DMS 187.2
    cumene 46.69
    2-octanol 11.61
    2-hexanone 101.41
    octyl acetate 49.3
    limonene 52.09
    1,2-dimethoxyethane 196.73
    ethyl orthosilicate 71.77
    tributyl phosphate 56.1
    diacetone alcohol 126.78
    N,N-dimethylaniline 136.08
    acrylonitrile 161.78
    aniline 109.37
    1,3-propanediol 39.44
    bromobenzene 222.28
    dibromomethane 382.54
    1,1,2,2-tetrachloroethane 632.81
    2-methyl-cyclohexyl acetate 101.2
    tetrabutyl urea 82.42
    diisobutyl methanol 18.95
    2-phenylethanol 73.77
    styrene 87.24
    dioctyl adipate 79.26
    dimethyl sulfate 442.26
    ethyl butyrate 110.04
    methyl lactate 112.78
    butyl lactate 68.63
    diethyl carbonate 97.08
    propanediol butyl ether 49.59
    triethyl orthoformate 78.02
    p-tert-butyltoluene 35.8
    methyl 4-tert-butylbenzoate 130.01
    morpholine 162.77
    tert-butylamine 31.12
    n-dodecanol 10.59
    dimethoxymethane 190.98
    ethylene carbonate 187.4
    cyrene 163.46
    2-ethoxyethyl acetate 107.77
    2-ethylhexyl acetate 105.53
    1,2,4-trichlorobenzene 333.05
    4-methylpyridine 335.96
    dibutyl ether 39.28
    2,6-dimethyl-4-heptanol 18.95
    DEF 283.15
    dimethyl isosorbide 281.69
    tetrachloroethylene 337.5
    eugenol 102.87
    triacetin 162.38
    span 80 73.65
    1,4-butanediol 18.35
    1,1-dichloroethane 262.5
    2-methyl-1-pentanol 33.96
    methyl formate 187.82
    2-methyl-1-butanol 35.75
    n-decane 3.69
    butyronitrile 74.14
    3,7-dimethyl-1-octanol 29.24
    1-chlorooctane 22.51
    1-chlorotetradecane 9.0
    n-nonane 3.52
    undecane 2.65
    tert-butylcyclohexane 12.7
    cyclooctane 5.2
    cyclopentanol 64.69
    tetrahydropyran 102.49
    tert-amyl methyl ether 96.37
    2,5,8-trioxanonane 155.66
    1-hexene 41.69
    2-isopropoxyethanol 54.21
    2,2,2-trifluoroethanol 119.31
    methyl butyrate 160.16

    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