Brushite

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  • Identifiers

    CAS number
    14567-92-1

    Molecular formula
    CaH5O6P

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 95.56%
    Bitter 14.14%
    Sharp 12.15%
    Clean 11.68%
    Sour 10.56%
    Sweaty 9.52%
    Animal 8.93%
    Malty 8.18%
    Pungent 7.81%
    Ripe 7.76%

     

    Flavor
    Odorless 57.2%
    Vinegar 30.26%
    Pungent 28.42%
    Sour 26.68%
    Rotten 24.13%
    Bland 23.01%
    Formyl 22.74%
    Mousy 21.63%
    Decomposing cabbage 20.35%
    Soy 19.53%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.5 (weak acid)

    Molecular weight
    172.09 g/mol

    Flash point

    • 57.76 ˚C est.

  • Synonyms

    • brushite
    • 14567-92-1
    • Brushite (Ca(HPO4).2H2O)
    • RefChem:54997
    • 626-863-9
    • 7789-77-7
    • calcium hydrogenphosphate dihydrate
    • Calcium hydrogen phosphate dihydrate
    • Dicalcium phosphate dihydrate
    • Calcium monohydrogen phosphate dihydrate
    • Dibasic calcium phosphate dihydrate
    • calcium;hydrogen phosphate;dihydrate
    • Calcium phosphate, dibasic, dihydrate
    • D.C.P.
    • Calcium phosphate dihydrate, dibasic
    • MFCD00149621
    • O7TSZ97GEP
    • Phosphoric acid, calcium salt (1:1), dihydrate
    • Dibasic calcium phosphate hydrate
    • Calcium phosphate dibasic, hydrous
    • Calcium phosphate, dibasic, hydrous
    • Aksepillen
    • Eunova
    • Calcium phosphate dibasic dihydrate
    • Calciumhydrogenphosphatedihydrate
    • CaH5O6P
    • UNII-O7TSZ97GEP
    • Calcium-hydrogenphosphat-2-wasser
    • Calster (TN)
    • H5CaO6P
    • CaHPO4.2H2O
    • Calciumhydrogenphosphate,dih
    • Calcium phosphate dihydrate, dibasic [USP:JAN]
    • SCHEMBL166796
    • CHEBI:4496
    • DTXSID90872536
    • XAAHAAMILDNBPS-UHFFFAOYSA-L
    • AKOS015855298
    • DB14481
    • calcium hydrogenphosphate--water (1/2)
    • Calcium hydrogenphosphate dihydrate, 98%
    • Dibasic calcium phosphate hydrate (JP18)
    • Calcium hydrogen phosphate--water (1/1/2)
    • CALCIUM PHOSPHATE DIHYDRATE [WHO-DD]
    • CALCIUM PHOSPHATE, DIHYDRATE (1:1)
    • Calcium phosphate, dihydrate, dibasic (USP)
    • NS00134271
    • D00937
    • DIBASIC CALCIUM PHOSPHATE HYDRATE [JAN]
    • CALCIUM PHOSPHATE, DIBASIC, DIHYDRATE [II]
    • F862739
    • CALCII HYDROGENOPHOSPHAS DIHYDRATE [WHO-IP LATIN]
    • CALCIUM HYDROGEN PHOSPHATE DIHYDRATE [EP MONOGRAPH]
    • Calcium hydrogenphosphate dihydrate, p.a., 98.0-105.0%
    • CALCIUM PHOSPHATE DIHYDRATE, DIBASIC [USP IMPURITY]
    • DIBASIC CALCIUM PHOSPHATE DIHYDRATE [USP MONOGRAPH]
    • Calcium phosphate dibasic dihydrate, puriss., meets analytical specification of Ph. Eur., BP, USP, 98-102.5%
    • 7789-77-7

  • Applications

    Brushite (CaHPO4·2H2O), CAS 14567-92-1, finds use across biomedical and agricultural sectors: as a bone graft substitute and in calcium phosphate cement systems that set to brushite for orthopedic and dental bone repair; as a phosphate source in slow-release fertilizers and soil amendments; as a precursor for calcium phosphate ceramics and hydroxyapatite coatings for implants in biomaterials; as a research reagent and starting material for synthesis of calcium phosphate materials; and as a potential component in environmental remediation strategies that immobilize heavy metals via calcium phosphate phases.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 96.71
    methanol 211.68
    isopropanol 62.41
    water 193.97
    ethyl acetate 9.0
    n-propanol 58.14
    acetone 30.82
    n-butanol 40.75
    acetonitrile 16.45
    DMF 329.57
    toluene 1.43
    isobutanol 35.03
    1,4-dioxane 38.5
    methyl acetate 14.75
    THF 57.52
    2-butanone 14.04
    n-pentanol 21.01
    sec-butanol 37.28
    n-hexane 1.24
    ethylene glycol 160.77
    NMP 116.41
    cyclohexane 0.9
    DMSO 178.39
    n-butyl acetate 6.14
    n-octanol 8.78
    chloroform 5.89
    n-propyl acetate 5.07
    acetic acid 129.19
    dichloromethane 6.69
    cyclohexanone 16.06
    propylene glycol 134.16
    isopropyl acetate 5.63
    DMAc 119.26
    2-ethoxyethanol 53.31
    isopentanol 24.6
    n-heptane 0.98
    ethyl formate 23.41
    1,2-dichloroethane 5.26
    n-hexanol 17.87
    2-methoxyethanol 142.98
    isobutyl acetate 2.89
    tetrachloromethane 2.25
    n-pentyl acetate 5.75
    transcutol 35.85
    n-heptanol 11.88
    ethylbenzene 0.98
    MIBK 6.39
    2-propoxyethanol 47.02
    tert-butanol 63.55
    MTBE 14.05
    2-butoxyethanol 30.53
    propionic acid 61.48
    o-xylene 2.03
    formic acid 225.59
    diethyl ether 9.66
    m-xylene 1.73
    p-xylene 1.41
    chlorobenzene 2.05
    dimethyl carbonate 13.19
    n-octane 0.47
    formamide 160.79
    cyclopentanone 32.8
    2-pentanone 11.12
    anisole 4.83
    cyclopentyl methyl ether 13.28
    gamma-butyrolactone 52.43
    1-methoxy-2-propanol 85.91
    pyridine 13.16
    3-pentanone 6.46
    furfural 48.47
    n-dodecane 0.39
    diethylene glycol 67.11
    diisopropyl ether 2.48
    tert-amyl alcohol 39.98
    acetylacetone 12.18
    n-hexadecane 0.39
    acetophenone 5.1
    methyl propionate 14.61
    isopentyl acetate 5.32
    trichloroethylene 6.56
    n-nonanol 7.34
    cyclohexanol 17.81
    benzyl alcohol 9.39
    2-ethylhexanol 6.32
    isooctanol 7.79
    dipropyl ether 5.35
    1,2-dichlorobenzene 2.38
    ethyl lactate 11.64
    propylene carbonate 23.62
    n-methylformamide 141.4
    2-pentanol 18.82
    n-pentane 1.54
    1-propoxy-2-propanol 26.06
    1-methoxy-2-propyl acetate 9.49
    2-(2-methoxypropoxy) propanol 17.01
    mesitylene 1.4
    ε-caprolactone 18.2
    p-cymene 1.36
    epichlorohydrin 28.13
    1,1,1-trichloroethane 3.02
    2-aminoethanol 157.48
    morpholine-4-carbaldehyde 91.01
    sulfolane 75.61
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 25.13
    n-hexyl acetate 7.68
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 25.02
    sec-butyl acetate 2.88
    tert-butyl acetate 6.67
    decalin 0.52
    glycerin 189.11
    diglyme 38.05
    acrylic acid 73.44
    isopropyl myristate 2.85
    n-butyric acid 43.92
    acetyl acetate 5.71
    di(2-ethylhexyl) phthalate 6.18
    ethyl propionate 5.57
    nitromethane 92.11
    1,2-diethoxyethane 6.64
    benzonitrile 5.89
    trioctyl phosphate 4.93
    1-bromopropane 3.2
    gamma-valerolactone 56.26
    n-decanol 5.4
    triethyl phosphate 3.79
    4-methyl-2-pentanol 9.09
    propionitrile 12.65
    vinylene carbonate 21.08
    1,1,2-trichlorotrifluoroethane 46.74
    DMS 6.46
    cumene 1.1
    2-octanol 6.66
    2-hexanone 5.68
    octyl acetate 4.77
    limonene 2.07
    1,2-dimethoxyethane 50.76
    ethyl orthosilicate 3.53
    tributyl phosphate 4.71
    diacetone alcohol 21.65
    N,N-dimethylaniline 5.39
    acrylonitrile 21.93
    aniline 8.76
    1,3-propanediol 111.39
    bromobenzene 1.2
    dibromomethane 3.77
    1,1,2,2-tetrachloroethane 8.19
    2-methyl-cyclohexyl acetate 3.88
    tetrabutyl urea 7.62
    diisobutyl methanol 3.6
    2-phenylethanol 8.13
    styrene 1.13
    dioctyl adipate 5.07
    dimethyl sulfate 29.06
    ethyl butyrate 4.59
    methyl lactate 32.18
    butyl lactate 11.01
    diethyl carbonate 3.65
    propanediol butyl ether 32.81
    triethyl orthoformate 4.42
    p-tert-butyltoluene 1.53
    methyl 4-tert-butylbenzoate 10.58
    morpholine 60.24
    tert-butylamine 26.34
    n-dodecanol 3.95
    dimethoxymethane 57.57
    ethylene carbonate 16.86
    cyrene 19.1
    2-ethoxyethyl acetate 7.51
    2-ethylhexyl acetate 3.7
    1,2,4-trichlorobenzene 3.09
    4-methylpyridine 11.06
    dibutyl ether 3.34
    2,6-dimethyl-4-heptanol 3.6
    DEF 28.87
    dimethyl isosorbide 18.4
    tetrachloroethylene 6.75
    eugenol 14.67
    triacetin 7.44
    span 80 19.04
    1,4-butanediol 48.67
    1,1-dichloroethane 4.03
    2-methyl-1-pentanol 13.19
    methyl formate 83.44
    2-methyl-1-butanol 25.39
    n-decane 0.55
    butyronitrile 13.22
    3,7-dimethyl-1-octanol 5.6
    1-chlorooctane 1.63
    1-chlorotetradecane 0.8
    n-nonane 0.53
    undecane 0.44
    tert-butylcyclohexane 0.65
    cyclooctane 0.43
    cyclopentanol 35.23
    tetrahydropyran 17.29
    tert-amyl methyl ether 10.85
    2,5,8-trioxanonane 26.38
    1-hexene 2.91
    2-isopropoxyethanol 24.25
    2,2,2-trifluoroethanol 52.42
    methyl butyrate 9.43

    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