Calcium fumarate

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  • Identifiers

    CAS number
    7718-51-6

    Molecular formula
    C4H2CaO4

    SMILES
    C(=C/C(=O)[O-])\C(=O)[O-].[Ca+2]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 49.88%
    Odorless 48.05%
    Caramellic 42.81%
    Winey 39.53%
    Sour 38.41%
    Burnt 32.93%
    Sharp 27.97%
    Buttery 27.29%
    Nutty 24.0%
    Creamy 23.7%

     

    Flavor
    Odorless 49.45%
    Nutty 37.47%
    Very mild 30.3%
    Caramellic 25.94%
    Sour 24.91%
    Musty 22.36%
    Urine 20.51%
    Yeast 20.48%
    Bread crust 20.0%
    Mousy 19.82%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    0.94 (strong acid)

    Molecular weight
    154.13 g/mol

    Flash point

    • 117.74 ˚C est.

  • Synonyms

    • CALCIUM FUMARATE
    • 7718-51-6
    • VD906S8V0I
    • 2-Butenedioic acid (E)-, calcium salt
    • RefChem:122833
    • 243-376-3
    • 19855-56-2
    • Calcium fumarate (1:1)
    • calcium;(E)-but-2-enedioate
    • UNII-VD906S8V0I
    • EINECS 243-376-3
    • calcium fumarate salt
    • 3416-22-6
    • Fumaric acid, calcium salt
    • Calcium 2-butenedioate, (E)-
    • FULAXAN
    • calcium (E)-but-2-enedioate
    • SCHEMBL122162
    • CALCIUM FUMARATE [WHO-DD]
    • DTXSID001337577
    • E367
    • NS00129377
    • 2-Butenedioic acid(2E)-,calcium salt(1:?)
    • (2E)-2-Butenedioic acid calcium salt (1:1)
    • 2-BUTENEDIOIC ACID (2E)-, CALCIUM SALT
    • 19855-56-2

  • Applications

    Calcium fumarate (CAS 7718-51-6) is used as a calcium source in nutrition and dietary supplements, and can be applied in fortified foods and calcium-enriched products. It also serves as a calcium source in animal feed for livestock and pets. In industry, the salt can function as the intermediate or precursor in the synthesis of fumarate-containing compounds and specialty polymers. In pharmaceutical formulations, it may be used as a calcium salt excipient or as a precursor for drug synthesis. In research and development, calcium fumarate can be employed as a reagent or starting material in routes involving fumarate chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.38
    methanol 73.14
    isopropanol 18.8
    water 12.64
    ethyl acetate 28.99
    n-propanol 17.99
    acetone 66.17
    n-butanol 12.53
    acetonitrile 73.2
    DMF 174.67
    toluene 15.15
    isobutanol 11.59
    1,4-dioxane 85.45
    methyl acetate 75.43
    THF 56.87
    2-butanone 51.0
    n-pentanol 12.66
    sec-butanol 18.02
    n-hexane 4.17
    ethylene glycol 15.91
    NMP 192.73
    cyclohexane 3.42
    DMSO 328.8
    n-butyl acetate 17.67
    n-octanol 11.89
    chloroform 29.78
    n-propyl acetate 22.07
    acetic acid 34.04
    dichloromethane 68.25
    cyclohexanone 34.01
    propylene glycol 7.32
    isopropyl acetate 15.63
    DMAc 262.29
    2-ethoxyethanol 56.26
    isopentanol 12.39
    n-heptane 2.88
    ethyl formate 38.72
    1,2-dichloroethane 52.44
    n-hexanol 8.0
    2-methoxyethanol 73.45
    isobutyl acetate 8.9
    tetrachloromethane 6.69
    n-pentyl acetate 13.84
    transcutol 110.23
    n-heptanol 7.01
    ethylbenzene 15.91
    MIBK 14.14
    2-propoxyethanol 27.92
    tert-butanol 26.34
    MTBE 36.61
    2-butoxyethanol 21.08
    propionic acid 23.55
    o-xylene 20.31
    formic acid 55.19
    diethyl ether 31.73
    m-xylene 9.72
    p-xylene 18.67
    chlorobenzene 15.95
    dimethyl carbonate 35.32
    n-octane 2.12
    formamide 140.52
    cyclopentanone 47.42
    2-pentanone 22.79
    anisole 49.24
    cyclopentyl methyl ether 24.61
    gamma-butyrolactone 80.74
    1-methoxy-2-propanol 31.98
    pyridine 57.6
    3-pentanone 27.78
    furfural 107.93
    n-dodecane 2.13
    diethylene glycol 32.1
    diisopropyl ether 9.31
    tert-amyl alcohol 28.68
    acetylacetone 37.57
    n-hexadecane 2.35
    acetophenone 47.16
    methyl propionate 34.09
    isopentyl acetate 14.26
    trichloroethylene 60.35
    n-nonanol 11.6
    cyclohexanol 10.57
    benzyl alcohol 25.24
    2-ethylhexanol 6.88
    isooctanol 6.34
    dipropyl ether 13.72
    1,2-dichlorobenzene 21.99
    ethyl lactate 13.97
    propylene carbonate 34.69
    n-methylformamide 91.66
    2-pentanol 9.43
    n-pentane 3.15
    1-propoxy-2-propanol 16.85
    1-methoxy-2-propyl acetate 21.44
    2-(2-methoxypropoxy) propanol 40.11
    mesitylene 7.4
    ε-caprolactone 37.53
    p-cymene 8.43
    epichlorohydrin 90.51
    1,1,1-trichloroethane 21.85
    2-aminoethanol 20.42
    morpholine-4-carbaldehyde 166.75
    sulfolane 117.23
    2,2,4-trimethylpentane 2.69
    2-methyltetrahydrofuran 42.76
    n-hexyl acetate 20.16
    isooctane 1.09
    2-(2-butoxyethoxy)ethanol 41.63
    sec-butyl acetate 13.06
    tert-butyl acetate 19.34
    decalin 3.75
    glycerin 15.81
    diglyme 100.34
    acrylic acid 27.63
    isopropyl myristate 10.9
    n-butyric acid 14.0
    acetyl acetate 24.17
    di(2-ethylhexyl) phthalate 12.7
    ethyl propionate 23.93
    nitromethane 163.91
    1,2-diethoxyethane 39.5
    benzonitrile 29.74
    trioctyl phosphate 7.59
    1-bromopropane 24.27
    gamma-valerolactone 88.07
    n-decanol 9.46
    triethyl phosphate 17.46
    4-methyl-2-pentanol 6.16
    propionitrile 32.53
    vinylene carbonate 39.42
    1,1,2-trichlorotrifluoroethane 51.33
    DMS 34.76
    cumene 11.47
    2-octanol 6.35
    2-hexanone 22.66
    octyl acetate 13.7
    limonene 9.59
    1,2-dimethoxyethane 125.94
    ethyl orthosilicate 15.13
    tributyl phosphate 10.29
    diacetone alcohol 21.64
    N,N-dimethylaniline 43.81
    acrylonitrile 53.34
    aniline 20.67
    1,3-propanediol 21.18
    bromobenzene 16.08
    dibromomethane 37.85
    1,1,2,2-tetrachloroethane 42.22
    2-methyl-cyclohexyl acetate 15.57
    tetrabutyl urea 19.97
    diisobutyl methanol 6.07
    2-phenylethanol 16.76
    styrene 18.69
    dioctyl adipate 17.67
    dimethyl sulfate 87.03
    ethyl butyrate 17.61
    methyl lactate 21.35
    butyl lactate 11.78
    diethyl carbonate 18.25
    propanediol butyl ether 18.14
    triethyl orthoformate 15.21
    p-tert-butyltoluene 7.64
    methyl 4-tert-butylbenzoate 31.11
    morpholine 69.51
    tert-butylamine 16.47
    n-dodecanol 7.82
    dimethoxymethane 72.2
    ethylene carbonate 30.28
    cyrene 38.48
    2-ethoxyethyl acetate 28.05
    2-ethylhexyl acetate 12.66
    1,2,4-trichlorobenzene 28.51
    4-methylpyridine 53.14
    dibutyl ether 16.09
    2,6-dimethyl-4-heptanol 6.07
    DEF 57.79
    dimethyl isosorbide 61.28
    tetrachloroethylene 33.36
    eugenol 31.31
    triacetin 35.0
    span 80 19.5
    1,4-butanediol 12.4
    1,1-dichloroethane 26.53
    2-methyl-1-pentanol 13.47
    methyl formate 81.99
    2-methyl-1-butanol 13.11
    n-decane 3.21
    butyronitrile 19.07
    3,7-dimethyl-1-octanol 11.13
    1-chlorooctane 8.69
    1-chlorotetradecane 4.89
    n-nonane 2.98
    undecane 2.57
    tert-butylcyclohexane 3.03
    cyclooctane 1.97
    cyclopentanol 12.35
    tetrahydropyran 28.0
    tert-amyl methyl ether 34.83
    2,5,8-trioxanonane 81.77
    1-hexene 10.18
    2-isopropoxyethanol 29.84
    2,2,2-trifluoroethanol 30.96
    methyl butyrate 29.17

    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