(Z)-2-(2-ethoxy-2-oxoethyl)but-2-enedioic acid

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C8H10O6

    SMILES
    CCOC(=O)C/C(=C/C(=O)O)/C(=O)O

  • Odor profile

    Fruity 71.96%
    Winey 65.72%
    Caramellic 61.04%
    Sweet 60.02%
    Sour 42.27%
    Burnt 34.88%
    Rummy 31.71%
    Buttery 31.58%
    Ethereal 31.55%
    Creamy 27.96%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.3

    Molecular weight
    202.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point est.
    175.78 ˚C

  • Synonyms

    • SCHEMBL3504490

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.12
    methanol 56.99
    isopropanol 13.16
    water 7.77
    ethyl acetate 3.6
    n-propanol 11.64
    acetone 14.23
    n-butanol 7.4
    acetonitrile 4.32
    DMF 459.61
    toluene 0.63
    isobutanol 5.51
    1,4-dioxane 18.83
    methyl acetate 9.05
    THF 36.24
    2-butanone 9.38
    n-pentanol 5.16
    sec-butanol 8.93
    n-hexane 0.23
    ethylene glycol 22.67
    NMP 293.45
    cyclohexane 0.14
    DMSO 521.24
    n-butyl acetate 2.93
    n-octanol 2.52
    chloroform 1.15
    n-propyl acetate 3.51
    acetic acid 20.36
    dichloromethane 3.42
    cyclohexanone 10.11
    propylene glycol 16.57
    isopropyl acetate 2.42
    DMAc 345.05
    2-ethoxyethanol 46.39
    isopentanol 5.92
    n-heptane 0.14
    ethyl formate 8.63
    1,2-dichloroethane 3.86
    n-hexanol 2.58
    2-methoxyethanol 97.98
    isobutyl acetate 1.11
    tetrachloromethane 0.29
    n-pentyl acetate 1.89
    transcutol 51.71
    n-heptanol 1.94
    ethylbenzene 1.13
    MIBK 3.21
    2-propoxyethanol 20.17
    tert-butanol 20.62
    MTBE 6.5
    2-butoxyethanol 9.63
    propionic acid 10.98
    o-xylene 1.75
    formic acid 75.89
    diethyl ether 3.77
    m-xylene 0.7
    p-xylene 1.34
    chlorobenzene 0.79
    dimethyl carbonate 12.99
    n-octane 0.08
    formamide 146.04
    cyclopentanone 21.06
    2-pentanone 4.87
    anisole 9.49
    cyclopentyl methyl ether 7.22
    gamma-butyrolactone 37.83
    1-methoxy-2-propanol 44.34
    pyridine 10.13
    3-pentanone 4.15
    furfural 51.18
    n-dodecane 0.08
    diethylene glycol 34.25
    diisopropyl ether 0.83
    tert-amyl alcohol 17.5
    acetylacetone 9.25
    n-hexadecane 0.09
    acetophenone 10.81
    methyl propionate 8.13
    isopentyl acetate 2.95
    trichloroethylene 4.66
    n-nonanol 2.42
    cyclohexanol 3.75
    benzyl alcohol 9.3
    2-ethylhexanol 1.66
    isooctanol 1.62
    dipropyl ether 2.25
    1,2-dichlorobenzene 1.69
    ethyl lactate 7.22
    propylene carbonate 12.99
    n-methylformamide 106.3
    2-pentanol 3.39
    n-pentane 0.14
    1-propoxy-2-propanol 11.25
    1-methoxy-2-propyl acetate 7.08
    2-(2-methoxypropoxy) propanol 21.98
    mesitylene 0.64
    ε-caprolactone 13.22
    p-cymene 0.83
    epichlorohydrin 31.07
    1,1,1-trichloroethane 0.88
    2-aminoethanol 32.71
    morpholine-4-carbaldehyde 144.73
    sulfolane 117.59
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 13.56
    n-hexyl acetate 3.26
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 20.22
    sec-butyl acetate 1.94
    tert-butyl acetate 4.47
    decalin 0.21
    glycerin 44.3
    diglyme 41.86
    acrylic acid 15.87
    isopropyl myristate 1.49
    n-butyric acid 6.52
    acetyl acetate 2.66
    di(2-ethylhexyl) phthalate 3.78
    ethyl propionate 4.07
    nitromethane 63.21
    1,2-diethoxyethane 6.5
    benzonitrile 3.87
    trioctyl phosphate 2.11
    1-bromopropane 1.17
    gamma-valerolactone 51.8
    n-decanol 1.78
    triethyl phosphate 5.17
    4-methyl-2-pentanol 1.97
    propionitrile 3.21
    vinylene carbonate 12.91
    1,1,2-trichlorotrifluoroethane 34.63
    DMS 6.85
    cumene 1.05
    2-octanol 1.37
    2-hexanone 4.27
    octyl acetate 2.17
    limonene 1.06
    1,2-dimethoxyethane 69.89
    ethyl orthosilicate 4.2
    tributyl phosphate 3.01
    diacetone alcohol 14.26
    N,N-dimethylaniline 12.03
    acrylonitrile 7.85
    aniline 4.4
    1,3-propanediol 31.42
    bromobenzene 0.58
    dibromomethane 1.54
    1,1,2,2-tetrachloroethane 4.46
    2-methyl-cyclohexyl acetate 4.07
    tetrabutyl urea 6.63
    diisobutyl methanol 1.31
    2-phenylethanol 4.64
    styrene 1.23
    dioctyl adipate 3.83
    dimethyl sulfate 58.64
    ethyl butyrate 3.33
    methyl lactate 17.49
    butyl lactate 4.78
    diethyl carbonate 3.7
    propanediol butyl ether 12.42
    triethyl orthoformate 4.34
    p-tert-butyltoluene 0.82
    methyl 4-tert-butylbenzoate 10.74
    morpholine 33.74
    tert-butylamine 6.27
    n-dodecanol 1.26
    dimethoxymethane 65.79
    ethylene carbonate 7.92
    cyrene 33.43
    2-ethoxyethyl acetate 4.58
    2-ethylhexyl acetate 2.2
    1,2,4-trichlorobenzene 2.81
    4-methylpyridine 10.66
    dibutyl ether 2.03
    2,6-dimethyl-4-heptanol 1.31
    DEF 27.61
    dimethyl isosorbide 35.26
    tetrachloroethylene 2.9
    eugenol 13.02
    triacetin 7.36
    span 80 10.38
    1,4-butanediol 13.15
    1,1-dichloroethane 1.04
    2-methyl-1-pentanol 4.7
    methyl formate 59.95
    2-methyl-1-butanol 6.39
    n-decane 0.13
    butyronitrile 2.49
    3,7-dimethyl-1-octanol 2.39
    1-chlorooctane 0.59
    1-chlorotetradecane 0.29
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.18
    cyclooctane 0.08
    cyclopentanol 6.75
    tetrahydropyran 5.23
    tert-amyl methyl ether 7.56
    2,5,8-trioxanonane 35.97
    1-hexene 0.8
    2-isopropoxyethanol 17.31
    2,2,2-trifluoroethanol 13.73
    methyl butyrate 7.03

    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