Calcium ferrocyanide

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  • Identifiers

    CAS number
    13821-08-4

    Molecular formula
    C6Ca2FeN6

    SMILES
    [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ca+2].[Ca+2].[Fe+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.76%
    Pungent 22.82%
    Fishy 16.41%
    Bitter 16.31%
    Sharp 14.68%
    Burnt 13.3%
    Almond 12.72%
    Sulfurous 12.45%
    Floral 12.09%
    Sweet 11.45%

     

    Flavor
    Bitter 76.23%
    Odorless 32.41%
    Rotten 21.95%
    Formyl 20.88%
    Sulfur 19.56%
    Decomposing cabbage 18.84%
    Nitrile 18.84%
    Mousy 18.48%
    Shrimp 17.43%
    Indole 16.9%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.18 (weak acid)

    Molecular weight
    292.11 g/mol

    Flash point

    • 25.41 ˚C est.

  • Synonyms

    • Calcium ferrocyanide
    • 13821-08-4
    • Dicalcium hexacyanoferrate
    • 906D36VLZG
    • calcium hexacyanoferrate(II)
    • UNII-906D36VLZG
    • INS NO.538
    • YELLOW PRUSSIATE OF LIME
    • INS-538
    • HEXACYANOFERRATE OF CALCIUM
    • EINECS 237-508-9
    • DICALCIUM HEXACYANOFERRATE(4-)
    • FERRATE(4-), HEXACYANO-, DICALCIUM
    • E-538
    • Ferrate(4-), hexakis(cyano-.kappa.C)-, calcium (1:2), (OC-6-11)-
    • Ferrate(4-), hexakis(cyano-kappaC)-, calcium (1:2), (OC-6-11)-
    • FERRATE(4-), HEXAKIS(CYANO-C)-, CALCIUM (1:2), (OC-6-11)-
    • RefChem:122831
    • Yellow prussiate of limeCalcium hexacyanoferrate
    • Ferrate(4), hexakis(cyanokappaC), calcium (1:2), (OC611)
    • dicalcium;iron(2+);hexacyanide
    • BAZQCHGUTMBXBU-UHFFFAOYSA-N
    • Q1026348
    • 13821-08-4

  • Applications

    Calcium ferrocyanide (CAS 13821-08-4) is primarily used as an anti-caking agent in table salt and other dry food formulations; it also serves as a stable ferrocyanide source in chemical synthesis and analytical work, especially in electrochemical and redox-related applications; in industry it can act as a precursor or intermediate for ferrocyanide-based pigments and colorants used in coatings and inks; additionally, in laboratory and R&D settings it is employed as a reagent or standard for ferrocyanide/ferricyanide redox chemistry and related electrochemical testing and energy-storage research such as redox-flow battery work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.66
    methanol 104.94
    isopropanol 36.01
    water 18.15
    ethyl acetate 38.16
    n-propanol 35.87
    acetone 104.79
    n-butanol 25.06
    acetonitrile 76.36
    DMF 429.87
    toluene 12.08
    isobutanol 25.25
    1,4-dioxane 85.34
    methyl acetate 70.2
    THF 82.08
    2-butanone 55.38
    n-pentanol 17.91
    sec-butanol 27.01
    n-hexane 3.34
    ethylene glycol 59.08
    NMP 259.53
    cyclohexane 5.44
    DMSO 288.15
    n-butyl acetate 19.36
    n-octanol 13.86
    chloroform 50.76
    n-propyl acetate 20.34
    acetic acid 118.28
    dichloromethane 48.58
    cyclohexanone 54.47
    propylene glycol 38.04
    isopropyl acetate 19.77
    DMAc 306.34
    2-ethoxyethanol 40.81
    isopentanol 18.11
    n-heptane 4.04
    ethyl formate 36.45
    1,2-dichloroethane 35.22
    n-hexanol 16.26
    2-methoxyethanol 96.32
    isobutyl acetate 12.53
    tetrachloromethane 12.86
    n-pentyl acetate 16.47
    transcutol 79.63
    n-heptanol 11.84
    ethylbenzene 5.67
    MIBK 18.17
    2-propoxyethanol 37.36
    tert-butanol 39.82
    MTBE 31.42
    2-butoxyethanol 26.41
    propionic acid 67.82
    o-xylene 11.45
    formic acid 92.78
    diethyl ether 30.33
    m-xylene 8.36
    p-xylene 9.34
    chlorobenzene 21.19
    dimethyl carbonate 45.31
    n-octane 2.07
    formamide 114.1
    cyclopentanone 82.57
    2-pentanone 32.55
    anisole 20.17
    cyclopentyl methyl ether 32.91
    gamma-butyrolactone 101.58
    1-methoxy-2-propanol 57.07
    pyridine 62.07
    3-pentanone 34.36
    furfural 98.83
    n-dodecane 2.16
    diethylene glycol 50.66
    diisopropyl ether 9.03
    tert-amyl alcohol 29.83
    acetylacetone 46.13
    n-hexadecane 2.32
    acetophenone 22.95
    methyl propionate 48.27
    isopentyl acetate 15.25
    trichloroethylene 63.33
    n-nonanol 11.72
    cyclohexanol 23.5
    benzyl alcohol 19.4
    2-ethylhexanol 10.62
    isooctanol 9.47
    dipropyl ether 15.4
    1,2-dichlorobenzene 19.48
    ethyl lactate 18.4
    propylene carbonate 46.7
    n-methylformamide 141.93
    2-pentanol 16.78
    n-pentane 4.34
    1-propoxy-2-propanol 26.73
    1-methoxy-2-propyl acetate 25.21
    2-(2-methoxypropoxy) propanol 27.27
    mesitylene 6.24
    ε-caprolactone 42.84
    p-cymene 6.17
    epichlorohydrin 61.57
    1,1,1-trichloroethane 31.38
    2-aminoethanol 53.1
    morpholine-4-carbaldehyde 171.56
    sulfolane 141.71
    2,2,4-trimethylpentane 3.1
    2-methyltetrahydrofuran 51.5
    n-hexyl acetate 20.35
    isooctane 1.94
    2-(2-butoxyethoxy)ethanol 32.82
    sec-butyl acetate 12.16
    tert-butyl acetate 20.04
    decalin 2.66
    glycerin 66.49
    diglyme 67.94
    acrylic acid 84.73
    isopropyl myristate 9.78
    n-butyric acid 42.4
    acetyl acetate 29.09
    di(2-ethylhexyl) phthalate 11.91
    ethyl propionate 19.57
    nitromethane 193.1
    1,2-diethoxyethane 25.19
    benzonitrile 29.36
    trioctyl phosphate 9.72
    1-bromopropane 18.87
    gamma-valerolactone 99.85
    n-decanol 9.41
    triethyl phosphate 11.84
    4-methyl-2-pentanol 10.07
    propionitrile 41.88
    vinylene carbonate 48.85
    1,1,2-trichlorotrifluoroethane 85.28
    DMS 32.97
    cumene 5.08
    2-octanol 8.9
    2-hexanone 20.01
    octyl acetate 13.54
    limonene 9.61
    1,2-dimethoxyethane 69.13
    ethyl orthosilicate 10.7
    tributyl phosphate 10.57
    diacetone alcohol 29.05
    N,N-dimethylaniline 19.89
    acrylonitrile 65.17
    aniline 25.59
    1,3-propanediol 47.15
    bromobenzene 17.94
    dibromomethane 28.92
    1,1,2,2-tetrachloroethane 52.84
    2-methyl-cyclohexyl acetate 12.33
    tetrabutyl urea 17.22
    diisobutyl methanol 8.02
    2-phenylethanol 15.76
    styrene 8.85
    dioctyl adipate 15.15
    dimethyl sulfate 96.26
    ethyl butyrate 16.06
    methyl lactate 44.87
    butyl lactate 17.4
    diethyl carbonate 13.43
    propanediol butyl ether 28.93
    triethyl orthoformate 13.68
    p-tert-butyltoluene 6.28
    methyl 4-tert-butylbenzoate 23.08
    morpholine 86.98
    tert-butylamine 23.83
    n-dodecanol 7.93
    dimethoxymethane 93.5
    ethylene carbonate 37.61
    cyrene 29.25
    2-ethoxyethyl acetate 26.45
    2-ethylhexyl acetate 12.94
    1,2,4-trichlorobenzene 26.0
    4-methylpyridine 51.63
    dibutyl ether 12.94
    2,6-dimethyl-4-heptanol 8.02
    DEF 75.4
    dimethyl isosorbide 37.46
    tetrachloroethylene 41.04
    eugenol 24.31
    triacetin 28.86
    span 80 24.94
    1,4-butanediol 23.08
    1,1-dichloroethane 33.27
    2-methyl-1-pentanol 13.83
    methyl formate 103.23
    2-methyl-1-butanol 19.57
    n-decane 2.93
    butyronitrile 31.3
    3,7-dimethyl-1-octanol 10.85
    1-chlorooctane 7.81
    1-chlorotetradecane 4.41
    n-nonane 2.84
    undecane 2.45
    tert-butylcyclohexane 2.73
    cyclooctane 2.02
    cyclopentanol 37.37
    tetrahydropyran 45.75
    tert-amyl methyl ether 24.05
    2,5,8-trioxanonane 50.89
    1-hexene 8.37
    2-isopropoxyethanol 25.18
    2,2,2-trifluoroethanol 55.9
    methyl butyrate 26.78

    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