iron;(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid

  • Identifiers

    Molecular formula
    C12H24FeO14

    SMILES
    C([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O.C([C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O.[Fe]

  • Odor profile

    Fragrance
    Odorless 71.89%
    Sweet 41.17%
    Caramellic 29.94%
    Buttery 23.17%
    Milky 18.4%
    Savory 18.29%
    Clean 18.25%
    Sharp 17.01%
    Bitter 15.87%
    Alcoholic 15.62%

     

    Flavor
    Odorless 73.57%
    Sweet 34.15%
    Very mild 31.46%
    Sweet-like 30.79%
    Bland 23.89%
    Mild 22.03%
    Very slight 20.57%
    Yeast 20.39%
    Caramellic 20.0%
    Acetoin 18.8%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.01 (weak acid)

    Molecular weight
    448.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    777°C

    Melting point expt.

    • The melting point for D-gluconic acid, ferrous salt dihydrate (98%) is 188 °C, decomposes. The specific optical rotation is +6.7 deg at 25 °C (c=1, H2O). /Dihydrate/

    Flash point

    • 250.59 ˚C est.

    Solubility expt.

    • Soluble with slight heating in water. Practically insoluble in ethanol
    • Soluble in glycerin
    • SOLUBILITY INCR BY ADDN OF CITRIC ACID OR CITRATE ION
    • 1 gram dissolves in about 10 ml of water with slight heating and in 1.3 ml of water at 100 °C. It forms supersaturated solutions which are stable for a period of time.

  • Synonyms

    • FERROUS GLUCONATE
  • Applications

    iron;(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoic acid is primarily used as an iron source in pharmaceuticals, where it serves as an oral iron supplement; it is also employed as an iron fortificant in food processing to address dietary iron deficiency in cereals, beverages, and infant formulas within regulatory limits. In animal nutrition, it functions as a trace mineral feed additive to prevent iron deficiency in livestock. In agricultural applications, it can be used as a soluble iron source for horticultural sprays and hydroponic systems, helping correct iron chlorosis in crops. The material may also be evaluated as a chelating or stabilizing additive in formulated products, depending on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.37
    methanol 14.01
    isopropanol 1.17
    water 989.11
    ethyl acetate 0.45
    n-propanol 1.42
    acetone 1.38
    n-butanol 0.81
    acetonitrile 0.54
    DMF 113.94
    toluene 0.19
    isobutanol 0.68
    1,4-dioxane 2.98
    methyl acetate 0.43
    THF 1.75
    2-butanone 0.69
    n-pentanol 0.4
    sec-butanol 1.12
    n-hexane 0.07
    ethylene glycol 142.84
    NMP 100.46
    cyclohexane 0.55
    DMSO 371.85
    n-butyl acetate 0.25
    n-octanol 0.43
    chloroform 0.05
    n-propyl acetate 0.17
    acetic acid 7.44
    dichloromethane 0.1
    cyclohexanone 1.72
    propylene glycol 37.21
    isopropyl acetate 0.34
    DMAc 56.51
    2-ethoxyethanol 8.93
    isopentanol 0.65
    n-heptane 0.48
    ethyl formate 0.48
    1,2-dichloroethane 0.23
    n-hexanol 0.88
    2-methoxyethanol 34.79
    isobutyl acetate 0.05
    tetrachloromethane 0.1
    n-pentyl acetate 0.2
    transcutol 6.34
    n-heptanol 0.75
    ethylbenzene 0.12
    MIBK 0.49
    2-propoxyethanol 6.33
    tert-butanol 2.09
    MTBE 0.42
    2-butoxyethanol 2.72
    propionic acid 3.21
    o-xylene 0.5
    formic acid 212.32
    diethyl ether 0.42
    m-xylene 0.32
    p-xylene 0.13
    chlorobenzene 0.04
    dimethyl carbonate 2.61
    n-octane 0.14
    formamide 141.01
    cyclopentanone 2.2
    2-pentanone 0.78
    anisole 0.26
    cyclopentyl methyl ether 1.59
    gamma-butyrolactone 3.02
    1-methoxy-2-propanol 17.41
    pyridine 0.76
    3-pentanone 0.93
    furfural 3.81
    n-dodecane 0.06
    diethylene glycol 31.39
    diisopropyl ether 0.26
    tert-amyl alcohol 1.91
    acetylacetone 1.88
    n-hexadecane 0.07
    acetophenone 0.5
    methyl propionate 1.61
    isopentyl acetate 0.19
    trichloroethylene 0.19
    n-nonanol 0.41
    cyclohexanol 2.16
    benzyl alcohol 0.7
    2-ethylhexanol 0.51
    isooctanol 0.48
    dipropyl ether 0.78
    1,2-dichlorobenzene 0.08
    ethyl lactate 1.49
    propylene carbonate 0.83
    n-methylformamide 28.89
    2-pentanol 0.82
    n-pentane 0.14
    1-propoxy-2-propanol 3.75
    1-methoxy-2-propyl acetate 1.43
    2-(2-methoxypropoxy) propanol 2.57
    mesitylene 0.37
    ε-caprolactone 1.65
    p-cymene 0.3
    epichlorohydrin 1.0
    1,1,1-trichloroethane 0.06
    2-aminoethanol 49.36
    morpholine-4-carbaldehyde 48.88
    sulfolane 34.68
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 1.0
    n-hexyl acetate 0.25
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 3.36
    sec-butyl acetate 0.11
    tert-butyl acetate 0.57
    decalin 0.11
    glycerin 201.41
    diglyme 7.05
    acrylic acid 7.04
    isopropyl myristate 0.13
    n-butyric acid 1.39
    acetyl acetate 0.39
    di(2-ethylhexyl) phthalate 0.21
    ethyl propionate 0.33
    nitromethane 9.03
    1,2-diethoxyethane 0.51
    benzonitrile 0.15
    trioctyl phosphate 0.26
    1-bromopropane 0.08
    gamma-valerolactone 7.31
    n-decanol 0.32
    triethyl phosphate 0.5
    4-methyl-2-pentanol 0.46
    propionitrile 0.28
    vinylene carbonate 0.73
    1,1,2-trichlorotrifluoroethane 10.43
    DMS 0.55
    cumene 0.12
    2-octanol 0.39
    2-hexanone 0.2
    octyl acetate 0.19
    limonene 0.56
    1,2-dimethoxyethane 3.86
    ethyl orthosilicate 0.46
    tributyl phosphate 0.19
    diacetone alcohol 4.23
    N,N-dimethylaniline 0.72
    acrylonitrile 0.7
    aniline 0.64
    1,3-propanediol 20.74
    bromobenzene 0.03
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.33
    2-methyl-cyclohexyl acetate 0.28
    tetrabutyl urea 0.62
    diisobutyl methanol 0.48
    2-phenylethanol 0.7
    styrene 0.09
    dioctyl adipate 0.21
    dimethyl sulfate 12.75
    ethyl butyrate 0.35
    methyl lactate 10.93
    butyl lactate 0.71
    diethyl carbonate 0.21
    propanediol butyl ether 3.58
    triethyl orthoformate 0.49
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 1.21
    morpholine 5.26
    tert-butylamine 0.78
    n-dodecanol 0.26
    dimethoxymethane 11.35
    ethylene carbonate 0.6
    cyrene 8.16
    2-ethoxyethyl acetate 0.39
    2-ethylhexyl acetate 0.16
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.49
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.48
    DEF 6.64
    dimethyl isosorbide 3.99
    tetrachloroethylene 0.46
    eugenol 1.39
    triacetin 0.61
    span 80 2.5
    1,4-butanediol 7.11
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.31
    methyl formate 9.19
    2-methyl-1-butanol 0.75
    n-decane 0.11
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.12
    1-chlorotetradecane 0.07
    n-nonane 0.12
    undecane 0.08
    tert-butylcyclohexane 0.06
    cyclooctane 0.41
    cyclopentanol 2.39
    tetrahydropyran 0.79
    tert-amyl methyl ether 0.77
    2,5,8-trioxanonane 6.19
    1-hexene 0.07
    2-isopropoxyethanol 2.77
    2,2,2-trifluoroethanol 13.96
    methyl butyrate 0.38

    Scent© AI

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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