Benzene, 1,4-bis(1-methoxycarbonylethyl)-

  • Identifiers

    Molecular formula
    C14H18O4

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

  • Odor profile

    Fragrance
    Fruity 92.73%
    Floral 71.58%
    Sweet 69.75%
    Tropical 48.58%
    Honey 47.11%
    Berry 45.67%
    Green 41.75%
    Strawberry 36.13%
    Powdery 35.77%
    Grape 34.27%

     

    Flavor
    Fruity 74.21%
    Floral 47.33%
    Tropical 35.28%
    Bitter 30.0%
    Sweet 29.44%
    Berry 28.6%
    Green 27.58%
    Grape 26.83%
    Wine 26.09%
    Rose 24.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.23 (neutral)

    Molecular weight
    250.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 149.89 ˚C est.

  • Synonyms

    • Benzene, 1,4-bis(1-methoxycarbonylethyl)-
    • YXRNEROYPJUALU-UHFFFAOYSA-N
  • Applications

    Benzene, 1,4-bis(1-methoxycarbonylethyl)- is a difunctional aromatic diester that serves as a building block in polymer synthesis and specialty resins. In polymers and plastics, it is used as a difunctional monomer for polyesters and high-performance resins. In coatings and inks, it can function as a resin component or crosslinkable precursor in epoxy- or acrylic-based systems. In adhesives, it may act as a reactive intermediate enabling crosslinking and improved cohesion. In electronics-related polymer materials, it may be evaluated for use in packaging, insulation, and encapsulation applications. In industrial manufacturing, it can serve as a precursor to other aromatic ester derivatives used in fine chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.58
    methanol 18.81
    isopropanol 13.75
    water 0.1
    ethyl acetate 58.55
    n-propanol 13.13
    acetone 47.03
    n-butanol 13.24
    acetonitrile 34.63
    DMF 96.23
    toluene 26.58
    isobutanol 10.62
    1,4-dioxane 141.52
    methyl acetate 61.66
    THF 122.41
    2-butanone 56.01
    n-pentanol 15.6
    sec-butanol 16.64
    n-hexane 3.33
    ethylene glycol 2.97
    NMP 93.55
    cyclohexane 3.9
    DMSO 78.89
    n-butyl acetate 35.42
    n-octanol 6.12
    chloroform 330.52
    n-propyl acetate 38.06
    acetic acid 38.21
    dichloromethane 289.85
    cyclohexanone 77.75
    propylene glycol 3.6
    isopropyl acetate 35.6
    DMAc 135.83
    2-ethoxyethanol 60.71
    isopentanol 15.53
    n-heptane 1.19
    ethyl formate 29.61
    1,2-dichloroethane 185.4
    n-hexanol 13.86
    2-methoxyethanol 60.49
    isobutyl acetate 20.31
    tetrachloromethane 35.49
    n-pentyl acetate 22.47
    transcutol 107.66
    n-heptanol 8.61
    ethylbenzene 27.29
    MIBK 30.05
    2-propoxyethanol 48.22
    tert-butanol 39.84
    MTBE 49.71
    2-butoxyethanol 29.01
    propionic acid 22.75
    o-xylene 30.08
    formic acid 19.94
    diethyl ether 55.02
    m-xylene 18.29
    p-xylene 32.53
    chlorobenzene 53.76
    dimethyl carbonate 30.86
    n-octane 0.91
    formamide 55.82
    cyclopentanone 90.0
    2-pentanone 38.14
    anisole 64.66
    cyclopentyl methyl ether 44.84
    gamma-butyrolactone 118.38
    1-methoxy-2-propanol 38.75
    pyridine 93.12
    3-pentanone 48.28
    furfural 128.74
    n-dodecane 0.68
    diethylene glycol 33.19
    diisopropyl ether 14.99
    tert-amyl alcohol 35.24
    acetylacetone 63.38
    n-hexadecane 0.81
    acetophenone 61.2
    methyl propionate 49.88
    isopentyl acetate 35.29
    trichloroethylene 334.75
    n-nonanol 6.87
    cyclohexanol 17.66
    benzyl alcohol 38.25
    2-ethylhexanol 10.82
    isooctanol 8.49
    dipropyl ether 20.76
    1,2-dichlorobenzene 69.85
    ethyl lactate 18.88
    propylene carbonate 54.86
    n-methylformamide 41.54
    2-pentanol 11.57
    n-pentane 1.64
    1-propoxy-2-propanol 29.17
    1-methoxy-2-propyl acetate 48.51
    2-(2-methoxypropoxy) propanol 37.0
    mesitylene 12.55
    ε-caprolactone 71.52
    p-cymene 11.92
    epichlorohydrin 178.03
    1,1,1-trichloroethane 128.34
    2-aminoethanol 8.12
    morpholine-4-carbaldehyde 131.99
    sulfolane 123.32
    2,2,4-trimethylpentane 2.3
    2-methyltetrahydrofuran 73.79
    n-hexyl acetate 24.54
    isooctane 1.26
    2-(2-butoxyethoxy)ethanol 39.06
    sec-butyl acetate 28.9
    tert-butyl acetate 49.46
    decalin 4.72
    glycerin 10.41
    diglyme 105.91
    acrylic acid 25.32
    isopropyl myristate 10.61
    n-butyric acid 29.19
    acetyl acetate 42.55
    di(2-ethylhexyl) phthalate 14.67
    ethyl propionate 42.93
    nitromethane 106.86
    1,2-diethoxyethane 50.49
    benzonitrile 38.19
    trioctyl phosphate 7.87
    1-bromopropane 56.6
    gamma-valerolactone 147.2
    n-decanol 5.04
    triethyl phosphate 27.25
    4-methyl-2-pentanol 9.67
    propionitrile 29.05
    vinylene carbonate 58.49
    1,1,2-trichlorotrifluoroethane 107.52
    DMS 40.97
    cumene 17.82
    2-octanol 6.35
    2-hexanone 36.13
    octyl acetate 12.2
    limonene 14.39
    1,2-dimethoxyethane 149.82
    ethyl orthosilicate 26.46
    tributyl phosphate 11.23
    diacetone alcohol 46.06
    N,N-dimethylaniline 48.7
    acrylonitrile 41.68
    aniline 33.81
    1,3-propanediol 16.75
    bromobenzene 56.83
    dibromomethane 158.93
    1,1,2,2-tetrachloroethane 282.02
    2-methyl-cyclohexyl acetate 33.48
    tetrabutyl urea 15.75
    diisobutyl methanol 9.46
    2-phenylethanol 32.21
    styrene 31.76
    dioctyl adipate 20.19
    dimethyl sulfate 63.49
    ethyl butyrate 34.02
    methyl lactate 20.1
    butyl lactate 17.05
    diethyl carbonate 27.78
    propanediol butyl ether 15.1
    triethyl orthoformate 29.67
    p-tert-butyltoluene 12.02
    methyl 4-tert-butylbenzoate 42.57
    morpholine 112.43
    tert-butylamine 22.58
    n-dodecanol 3.84
    dimethoxymethane 84.65
    ethylene carbonate 46.47
    cyrene 49.54
    2-ethoxyethyl acetate 44.3
    2-ethylhexyl acetate 28.58
    1,2,4-trichlorobenzene 83.26
    4-methylpyridine 72.15
    dibutyl ether 13.76
    2,6-dimethyl-4-heptanol 9.46
    DEF 59.02
    dimethyl isosorbide 82.11
    tetrachloroethylene 195.86
    eugenol 39.96
    triacetin 34.63
    span 80 21.79
    1,4-butanediol 8.73
    1,1-dichloroethane 115.59
    2-methyl-1-pentanol 19.04
    methyl formate 35.62
    2-methyl-1-butanol 13.81
    n-decane 1.23
    butyronitrile 24.38
    3,7-dimethyl-1-octanol 8.22
    1-chlorooctane 6.65
    1-chlorotetradecane 2.69
    n-nonane 1.02
    undecane 0.88
    tert-butylcyclohexane 3.97
    cyclooctane 1.36
    cyclopentanol 18.58
    tetrahydropyran 70.53
    tert-amyl methyl ether 40.52
    2,5,8-trioxanonane 74.5
    1-hexene 13.77
    2-isopropoxyethanol 40.74
    2,2,2-trifluoroethanol 29.28
    methyl butyrate 49.34

    Scent© AI

1 of 4
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