Calcium fluorophosphate

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  • Identifiers

    CAS number
    7789-74-4

    Molecular formula
    CaFO3P

    SMILES
    [O-]P(=O)([O-])F.[Ca+2]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 80.13%
    Sweet 22.09%
    Clean 15.86%
    Savory 14.35%
    Bitter 13.2%
    Sour 12.51%
    Musk 11.81%
    Cooling 11.42%
    Balsamic 11.38%
    Milky 11.33%

     

    Flavor
    Odorless 62.09%
    Sour 22.55%
    Bland 21.95%
    Mousy 20.11%
    Formyl 19.54%
    Mild 18.99%
    Rotten 18.92%
    Soy 18.64%
    Yeast 18.28%
    Stinky 17.89%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    -0.71 (strong acid)

    Molecular weight
    138.05 g/mol

    Flash point

    • 61.83 ˚C est.

  • Synonyms

    • Calcium fluorophosphate
    • 7789-74-4
    • Phosphorofluoridic acid, calcium salt (1:1)
    • CALCIUM MONOFLUOROPHOSPHATE
    • 8L3LWO8VZ3
    • DTXSID30884436
    • Calc Fluor 3X
    • RefChem:58737
    • DTXCID001023877
    • 232-187-1
    • UNII-8L3LWO8VZ3
    • EINECS 232-187-1
    • CALCIUM PHOSPHOROFLUORIDATE
    • SCHEMBL118509
    • GFIKIVSYJDVOOZ-UHFFFAOYSA-L
    • CALCIUM FLUOROPHOSPHATE [MI]
    • PHOSPHOROFLUORIDIC ACID CALCIUM SALT
    • calcium;fluoro-dioxido-oxo-lambda5-phosphane
    • Q2237310
    • 7789-74-4

  • Applications

    Calcium fluorophosphate (CAS 7789-74-4) is used primarily as a fluoride source in dental care formulations (toothpaste, mouthwash) to deliver fluoride and support enamel remineralization. It also serves as a precursor or constituent in bioactive calcium phosphate materials, including fluorapatite-like fillers and coatings for dental implants and bone grafts. In materials science, it can be used as a starting material for the synthesis of fluoride-containing phosphate glasses and ceramics, and as a component in coatings requiring a fluoride-phosphate system. It is sometimes evaluated as a slow-release fluoride source in controlled-release formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 505.69
    methanol 825.4
    isopropanol 434.01
    water 603.91
    ethyl acetate 89.0
    n-propanol 325.62
    acetone 398.19
    n-butanol 280.45
    acetonitrile 190.1
    DMF 1124.06
    toluene 30.51
    isobutanol 205.15
    1,4-dioxane 190.03
    methyl acetate 109.4
    THF 433.21
    2-butanone 167.91
    n-pentanol 195.89
    sec-butanol 266.28
    n-hexane 24.91
    ethylene glycol 456.36
    NMP 436.32
    cyclohexane 30.47
    DMSO 1310.56
    n-butyl acetate 52.98
    n-octanol 101.53
    chloroform 50.44
    n-propyl acetate 72.33
    acetic acid 179.41
    dichloromethane 94.27
    cyclohexanone 116.4
    propylene glycol 267.42
    isopropyl acetate 72.16
    DMAc 537.48
    2-ethoxyethanol 389.05
    isopentanol 205.35
    n-heptane 33.37
    ethyl formate 117.87
    1,2-dichloroethane 108.27
    n-hexanol 138.43
    2-methoxyethanol 691.98
    isobutyl acetate 31.54
    tetrachloromethane 21.44
    n-pentyl acetate 60.76
    transcutol 269.84
    n-heptanol 105.34
    ethylbenzene 19.7
    MIBK 109.73
    2-propoxyethanol 279.89
    tert-butanol 436.79
    MTBE 171.83
    2-butoxyethanol 181.59
    propionic acid 116.35
    o-xylene 37.2
    formic acid 364.51
    diethyl ether 207.2
    m-xylene 35.8
    p-xylene 22.13
    chlorobenzene 19.41
    dimethyl carbonate 107.15
    n-octane 16.67
    formamide 549.71
    cyclopentanone 202.06
    2-pentanone 183.19
    anisole 62.18
    cyclopentyl methyl ether 168.02
    gamma-butyrolactone 180.74
    1-methoxy-2-propanol 500.69
    pyridine 94.77
    3-pentanone 111.94
    furfural 171.28
    n-dodecane 11.71
    diethylene glycol 350.4
    diisopropyl ether 65.45
    tert-amyl alcohol 277.07
    acetylacetone 144.85
    n-hexadecane 11.84
    acetophenone 61.54
    methyl propionate 114.76
    isopentyl acetate 40.19
    trichloroethylene 72.19
    n-nonanol 89.6
    cyclohexanol 139.19
    benzyl alcohol 80.67
    2-ethylhexanol 63.26
    isooctanol 72.37
    dipropyl ether 98.85
    1,2-dichlorobenzene 20.4
    ethyl lactate 78.73
    propylene carbonate 72.69
    n-methylformamide 483.36
    2-pentanol 228.53
    n-pentane 59.31
    1-propoxy-2-propanol 188.85
    1-methoxy-2-propyl acetate 75.05
    2-(2-methoxypropoxy) propanol 122.46
    mesitylene 32.22
    ε-caprolactone 88.82
    p-cymene 23.97
    epichlorohydrin 193.78
    1,1,1-trichloroethane 36.09
    2-aminoethanol 424.99
    morpholine-4-carbaldehyde 332.3
    sulfolane 293.48
    2,2,4-trimethylpentane 16.58
    2-methyltetrahydrofuran 190.73
    n-hexyl acetate 70.7
    isooctane 17.27
    2-(2-butoxyethoxy)ethanol 178.76
    sec-butyl acetate 41.45
    tert-butyl acetate 82.69
    decalin 9.27
    glycerin 396.46
    diglyme 258.19
    acrylic acid 116.39
    isopropyl myristate 39.07
    n-butyric acid 117.21
    acetyl acetate 42.98
    di(2-ethylhexyl) phthalate 35.83
    ethyl propionate 68.54
    nitromethane 302.51
    1,2-diethoxyethane 97.13
    benzonitrile 44.27
    trioctyl phosphate 39.26
    1-bromopropane 71.36
    gamma-valerolactone 209.45
    n-decanol 73.51
    triethyl phosphate 33.43
    4-methyl-2-pentanol 119.58
    propionitrile 119.62
    vinylene carbonate 60.86
    1,1,2-trichlorotrifluoroethane 161.52
    DMS 43.04
    cumene 18.92
    2-octanol 78.5
    2-hexanone 96.04
    octyl acetate 52.88
    limonene 35.63
    1,2-dimethoxyethane 403.66
    ethyl orthosilicate 33.43
    tributyl phosphate 34.2
    diacetone alcohol 181.28
    N,N-dimethylaniline 78.52
    acrylonitrile 134.02
    aniline 70.91
    1,3-propanediol 381.48
    bromobenzene 14.08
    dibromomethane 71.1
    1,1,2,2-tetrachloroethane 81.89
    2-methyl-cyclohexyl acetate 37.33
    tetrabutyl urea 67.82
    diisobutyl methanol 51.42
    2-phenylethanol 68.74
    styrene 20.95
    dioctyl adipate 47.37
    dimethyl sulfate 176.13
    ethyl butyrate 52.99
    methyl lactate 147.55
    butyl lactate 64.63
    diethyl carbonate 32.04
    propanediol butyl ether 147.84
    triethyl orthoformate 41.89
    p-tert-butyltoluene 27.35
    methyl 4-tert-butylbenzoate 82.89
    morpholine 268.79
    tert-butylamine 265.08
    n-dodecanol 59.36
    dimethoxymethane 561.03
    ethylene carbonate 56.49
    cyrene 115.65
    2-ethoxyethyl acetate 67.3
    2-ethylhexyl acetate 29.73
    1,2,4-trichlorobenzene 22.59
    4-methylpyridine 88.6
    dibutyl ether 56.92
    2,6-dimethyl-4-heptanol 51.42
    DEF 226.77
    dimethyl isosorbide 142.5
    tetrachloroethylene 63.1
    eugenol 102.73
    triacetin 54.29
    span 80 102.47
    1,4-butanediol 217.51
    1,1-dichloroethane 66.3
    2-methyl-1-pentanol 115.36
    methyl formate 321.57
    2-methyl-1-butanol 176.86
    n-decane 16.71
    butyronitrile 119.92
    3,7-dimethyl-1-octanol 65.88
    1-chlorooctane 34.25
    1-chlorotetradecane 18.21
    n-nonane 17.02
    undecane 13.57
    tert-butylcyclohexane 9.79
    cyclooctane 17.66
    cyclopentanol 194.84
    tetrahydropyran 137.85
    tert-amyl methyl ether 142.81
    2,5,8-trioxanonane 220.65
    1-hexene 47.98
    2-isopropoxyethanol 227.78
    2,2,2-trifluoroethanol 140.58
    methyl butyrate 89.11

    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