sodium;(E)-but-2-enedioic acid

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  • Identifiers

    CAS number
    7704-73-6

    Molecular formula
    C4H4NaO4+

    SMILES
    C(=C/C(=O)O)\C(=O)O.[Na+]

  • Odor profile

    Fragrance
    Sour 63.63%
    Odorless 50.56%
    Winey 43.74%
    Caramellic 43.38%
    Sharp 40.65%
    Burnt 40.48%
    Pungent 27.69%
    Buttery 26.22%
    Clean 26.13%
    Nutty 26.04%

     

    Flavor
    Odorless 67.05%
    Sour 47.69%
    Nutty 34.33%
    Very mild 32.43%
    Caramellic 29.05%
    Musty 23.89%
    Vinegar 22.95%
    Acidic 22.66%
    Yeast 22.09%
    Mild 22.0%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.82 (neutral)

    Molecular weight
    139.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 176.96 ˚C est.

  • Synonyms

    • Fumaric acid, sodium salt
    • 7704-73-6
    • Sodium fumarate
    • sodium;(E)-but-2-enedioic acid
    • EINECS 231-725-2
    • Sodium 2-butenedioate, (E)-
    • VRVKOZSIJXBAJG-TYYBGVCCSA-N
    • 2-Butenedioicacid(2E)-,sodiumsalt(1:x)
    • 2-Butenedioic acid (2E)-, sodium salt (1:x)

  • Applications

    sodium;(E)-but-2-enedioic acid (CAS 7704-73-6) is the sodium salt of fumaric acid and is commonly considered an intermediate for organic synthesis, polymers, and specialty chemicals. In polymer and plastics manufacturing, it can serve as a precursor for unsaturated polyesters or crosslinking systems. In cosmetics, personal care, and household products, it may function as a buffering agent to control pH. In cleaning formulations and water treatment, it can act as a chelating/sequestrant to bind metal ions. It is also used as a starting material for the synthesis of pharmaceutical and agrochemical intermediates. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.89
    methanol 83.35
    isopropanol 28.99
    water 70.4
    ethyl acetate 2.56
    n-propanol 24.14
    acetone 9.44
    n-butanol 18.96
    acetonitrile 7.94
    DMF 167.53
    toluene 1.35
    isobutanol 15.32
    1,4-dioxane 18.32
    methyl acetate 8.88
    THF 28.13
    2-butanone 8.63
    n-pentanol 13.68
    sec-butanol 19.2
    n-hexane 1.61
    ethylene glycol 48.89
    NMP 61.63
    cyclohexane 0.74
    DMSO 207.37
    n-butyl acetate 4.52
    n-octanol 9.23
    chloroform 5.21
    n-propyl acetate 4.01
    acetic acid 11.04
    dichloromethane 9.79
    cyclohexanone 7.14
    propylene glycol 28.09
    isopropyl acetate 2.08
    DMAc 123.75
    2-ethoxyethanol 38.43
    isopentanol 13.51
    n-heptane 1.38
    ethyl formate 17.44
    1,2-dichloroethane 8.29
    n-hexanol 10.01
    2-methoxyethanol 74.82
    isobutyl acetate 1.9
    tetrachloromethane 2.5
    n-pentyl acetate 4.24
    transcutol 22.3
    n-heptanol 9.07
    ethylbenzene 2.12
    MIBK 3.63
    2-propoxyethanol 26.08
    tert-butanol 29.51
    MTBE 10.14
    2-butoxyethanol 21.21
    propionic acid 9.69
    o-xylene 2.55
    formic acid 46.31
    diethyl ether 6.1
    m-xylene 1.4
    p-xylene 2.65
    chlorobenzene 1.21
    dimethyl carbonate 9.5
    n-octane 0.88
    formamide 62.93
    cyclopentanone 12.75
    2-pentanone 4.56
    anisole 7.79
    cyclopentyl methyl ether 7.49
    gamma-butyrolactone 17.55
    1-methoxy-2-propanol 35.65
    pyridine 8.03
    3-pentanone 3.95
    furfural 26.65
    n-dodecane 0.87
    diethylene glycol 39.29
    diisopropyl ether 1.64
    tert-amyl alcohol 22.04
    acetylacetone 4.57
    n-hexadecane 0.89
    acetophenone 6.75
    methyl propionate 5.9
    isopentyl acetate 3.98
    trichloroethylene 5.9
    n-nonanol 8.19
    cyclohexanol 7.91
    benzyl alcohol 9.16
    2-ethylhexanol 5.01
    isooctanol 6.41
    dipropyl ether 5.33
    1,2-dichlorobenzene 1.9
    ethyl lactate 8.25
    propylene carbonate 8.2
    n-methylformamide 68.19
    2-pentanol 8.89
    n-pentane 1.3
    1-propoxy-2-propanol 16.02
    1-methoxy-2-propyl acetate 5.52
    2-(2-methoxypropoxy) propanol 20.9
    mesitylene 1.39
    ε-caprolactone 8.24
    p-cymene 2.04
    epichlorohydrin 20.62
    1,1,1-trichloroethane 2.68
    2-aminoethanol 51.46
    morpholine-4-carbaldehyde 51.96
    sulfolane 38.44
    2,2,4-trimethylpentane 0.7
    2-methyltetrahydrofuran 12.49
    n-hexyl acetate 5.58
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 20.66
    sec-butyl acetate 2.13
    tert-butyl acetate 3.3
    decalin 0.77
    glycerin 46.18
    diglyme 43.65
    acrylic acid 10.68
    isopropyl myristate 3.08
    n-butyric acid 7.3
    acetyl acetate 1.54
    di(2-ethylhexyl) phthalate 4.93
    ethyl propionate 4.0
    nitromethane 21.26
    1,2-diethoxyethane 7.33
    benzonitrile 4.72
    trioctyl phosphate 4.83
    1-bromopropane 4.82
    gamma-valerolactone 21.9
    n-decanol 6.48
    triethyl phosphate 5.7
    4-methyl-2-pentanol 4.84
    propionitrile 8.51
    vinylene carbonate 8.76
    1,1,2-trichlorotrifluoroethane 24.46
    DMS 4.38
    cumene 2.16
    2-octanol 5.98
    2-hexanone 5.48
    octyl acetate 4.49
    limonene 2.4
    1,2-dimethoxyethane 65.56
    ethyl orthosilicate 5.44
    tributyl phosphate 4.43
    diacetone alcohol 9.82
    N,N-dimethylaniline 11.53
    acrylonitrile 11.92
    aniline 4.72
    1,3-propanediol 40.21
    bromobenzene 0.9
    dibromomethane 5.68
    1,1,2,2-tetrachloroethane 7.66
    2-methyl-cyclohexyl acetate 4.11
    tetrabutyl urea 9.34
    diisobutyl methanol 3.71
    2-phenylethanol 7.18
    styrene 1.99
    dioctyl adipate 4.77
    dimethyl sulfate 27.52
    ethyl butyrate 3.82
    methyl lactate 14.41
    butyl lactate 7.53
    diethyl carbonate 4.06
    propanediol butyl ether 17.75
    triethyl orthoformate 5.06
    p-tert-butyltoluene 2.12
    methyl 4-tert-butylbenzoate 10.43
    morpholine 26.79
    tert-butylamine 17.36
    n-dodecanol 5.11
    dimethoxymethane 44.26
    ethylene carbonate 7.09
    cyrene 16.6
    2-ethoxyethyl acetate 4.72
    2-ethylhexyl acetate 3.06
    1,2,4-trichlorobenzene 2.23
    4-methylpyridine 9.09
    dibutyl ether 5.16
    2,6-dimethyl-4-heptanol 3.71
    DEF 18.54
    dimethyl isosorbide 22.94
    tetrachloroethylene 6.03
    eugenol 15.43
    triacetin 4.95
    span 80 11.02
    1,4-butanediol 24.16
    1,1-dichloroethane 3.63
    2-methyl-1-pentanol 9.75
    methyl formate 48.59
    2-methyl-1-butanol 13.76
    n-decane 1.21
    butyronitrile 7.79
    3,7-dimethyl-1-octanol 5.75
    1-chlorooctane 3.1
    1-chlorotetradecane 1.59
    n-nonane 1.15
    undecane 1.01
    tert-butylcyclohexane 0.8
    cyclooctane 0.44
    cyclopentanol 13.74
    tetrahydropyran 7.9
    tert-amyl methyl ether 8.68
    2,5,8-trioxanonane 36.75
    1-hexene 3.36
    2-isopropoxyethanol 17.66
    2,2,2-trifluoroethanol 14.18
    methyl butyrate 7.26

    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