Calcium bis(4-hydroxybenzoate)

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  • Identifiers

    CAS number
    69959-44-0

    Molecular formula
    C14H10CaO6

    SMILES
    C1=CC(=CC=C1C(=O)O)[O-].C1=CC(=CC=C1C(=O)O)[O-].[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 64.22%
    Odorless 49.69%
    Nutty 37.26%
    Balsamic 36.93%
    Burnt 32.97%
    Medicinal 31.66%
    Bitter 31.08%
    Sweet 29.87%
    Vanilla 29.62%
    Aromatic 28.52%

     

    Flavor
    Phenolic 58.33%
    Nutty 47.48%
    Mild 45.14%
    Odorless 44.28%
    Faint 40.49%
    Balsam 38.05%
    Sour 33.02%
    Balsamic 31.82%
    Sweet 29.15%
    Honey 27.79%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.31 (neutral)

    Molecular weight
    314.3 g/mol

    Flash point

    • 116.27 ˚C est.

  • Synonyms

    • Calcium bis(4-hydroxybenzoate)
    • 69959-44-0
    • EINECS 274-235-4
    • DTXSID30220234
    • RefChem:122778
    • DTXCID30142725
    • 274-235-4
    • calcium;4-carboxyphenolate
    • MSK2535Ca
    • SCHEMBL1010569
    • Calcium bis(4-carboxyphenolate)
    • NS00090731
    • 69959-44-0

  • Applications

    Calcium bis(4-hydroxybenzoate) may serve as an organic-synthesis intermediate; may act as a stabilizer and antioxidant in plastics, polymers and coatings, helping to extend product life in polymer and paint systems; may function as a UV stabilizer and aging retardant in coatings and inks; may serve as a chelating or metal-complexing agent in cleaning formulations and other industrial systems; may be used as an excipient or buffering salt in pharmaceutical formulations; and may be evaluated for cosmetic/personal-care applications as a stabilizing or buffering additive, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.2
    methanol 171.56
    isopropanol 91.95
    water 2.85
    ethyl acetate 120.71
    n-propanol 77.6
    acetone 194.72
    n-butanol 73.1
    acetonitrile 65.56
    DMF 445.09
    toluene 9.78
    isobutanol 55.27
    1,4-dioxane 321.79
    methyl acetate 146.03
    THF 435.07
    2-butanone 137.93
    n-pentanol 70.3
    sec-butanol 73.34
    n-hexane 1.09
    ethylene glycol 66.9
    NMP 535.47
    cyclohexane 0.69
    DMSO 426.37
    n-butyl acetate 82.37
    n-octanol 101.58
    chloroform 7.38
    n-propyl acetate 85.7
    acetic acid 146.62
    dichloromethane 23.54
    cyclohexanone 106.55
    propylene glycol 61.74
    isopropyl acetate 83.95
    DMAc 331.9
    2-ethoxyethanol 238.89
    isopentanol 80.3
    n-heptane 3.06
    ethyl formate 75.17
    1,2-dichloroethane 39.02
    n-hexanol 67.16
    2-methoxyethanol 322.21
    isobutyl acetate 37.6
    tetrachloromethane 1.25
    n-pentyl acetate 97.34
    transcutol 1305.93
    n-heptanol 67.65
    ethylbenzene 8.17
    MIBK 79.8
    2-propoxyethanol 189.16
    tert-butanol 146.03
    MTBE 97.87
    2-butoxyethanol 157.25
    propionic acid 99.14
    o-xylene 12.31
    formic acid 156.11
    diethyl ether 102.47
    m-xylene 12.82
    p-xylene 9.39
    chlorobenzene 13.5
    dimethyl carbonate 97.06
    n-octane 2.08
    formamide 304.06
    cyclopentanone 249.18
    2-pentanone 120.6
    anisole 70.03
    cyclopentyl methyl ether 132.06
    gamma-butyrolactone 384.46
    1-methoxy-2-propanol 255.17
    pyridine 91.43
    3-pentanone 77.24
    furfural 253.68
    n-dodecane 3.47
    diethylene glycol 195.77
    diisopropyl ether 29.06
    tert-amyl alcohol 114.87
    acetylacetone 164.93
    n-hexadecane 3.97
    acetophenone 75.14
    methyl propionate 126.54
    isopentyl acetate 75.88
    trichloroethylene 52.15
    n-nonanol 91.17
    cyclohexanol 48.61
    benzyl alcohol 64.09
    2-ethylhexanol 41.24
    isooctanol 52.01
    dipropyl ether 46.77
    1,2-dichlorobenzene 15.89
    ethyl lactate 63.1
    propylene carbonate 131.58
    n-methylformamide 221.8
    2-pentanol 68.1
    n-pentane 1.6
    1-propoxy-2-propanol 135.2
    1-methoxy-2-propyl acetate 135.35
    2-(2-methoxypropoxy) propanol 201.5
    mesitylene 9.06
    ε-caprolactone 161.14
    p-cymene 13.33
    epichlorohydrin 328.99
    1,1,1-trichloroethane 10.7
    2-aminoethanol 92.78
    morpholine-4-carbaldehyde 492.36
    sulfolane 394.61
    2,2,4-trimethylpentane 2.02
    2-methyltetrahydrofuran 231.8
    n-hexyl acetate 169.8
    isooctane 1.97
    2-(2-butoxyethoxy)ethanol 344.67
    sec-butyl acetate 58.9
    tert-butyl acetate 115.38
    decalin 1.69
    glycerin 136.17
    diglyme 481.4
    acrylic acid 112.17
    isopropyl myristate 58.97
    n-butyric acid 89.16
    acetyl acetate 69.19
    di(2-ethylhexyl) phthalate 49.05
    ethyl propionate 70.92
    nitromethane 391.45
    1,2-diethoxyethane 213.31
    benzonitrile 48.84
    trioctyl phosphate 42.1
    1-bromopropane 12.17
    gamma-valerolactone 357.25
    n-decanol 66.72
    triethyl phosphate 37.86
    4-methyl-2-pentanol 46.77
    propionitrile 44.79
    vinylene carbonate 99.1
    1,1,2-trichlorotrifluoroethane 162.74
    DMS 125.89
    cumene 8.01
    2-octanol 54.83
    2-hexanone 80.98
    octyl acetate 82.62
    limonene 20.0
    1,2-dimethoxyethane 255.3
    ethyl orthosilicate 34.85
    tributyl phosphate 49.74
    diacetone alcohol 175.64
    N,N-dimethylaniline 43.03
    acrylonitrile 72.98
    aniline 38.06
    1,3-propanediol 136.2
    bromobenzene 7.94
    dibromomethane 7.45
    1,1,2,2-tetrachloroethane 37.93
    2-methyl-cyclohexyl acetate 51.98
    tetrabutyl urea 67.05
    diisobutyl methanol 30.33
    2-phenylethanol 61.67
    styrene 9.53
    dioctyl adipate 85.11
    dimethyl sulfate 181.94
    ethyl butyrate 61.33
    methyl lactate 109.1
    butyl lactate 81.1
    diethyl carbonate 40.89
    propanediol butyl ether 214.31
    triethyl orthoformate 50.61
    p-tert-butyltoluene 13.54
    methyl 4-tert-butylbenzoate 111.18
    morpholine 313.12
    tert-butylamine 49.6
    n-dodecanol 45.3
    dimethoxymethane 279.7
    ethylene carbonate 78.95
    cyrene 157.51
    2-ethoxyethyl acetate 197.43
    2-ethylhexyl acetate 53.07
    1,2,4-trichlorobenzene 27.04
    4-methylpyridine 79.84
    dibutyl ether 83.75
    2,6-dimethyl-4-heptanol 30.33
    DEF 166.99
    dimethyl isosorbide 253.93
    tetrachloroethylene 22.45
    eugenol 114.68
    triacetin 179.13
    span 80 145.38
    1,4-butanediol 65.2
    1,1-dichloroethane 16.7
    2-methyl-1-pentanol 62.59
    methyl formate 189.89
    2-methyl-1-butanol 62.41
    n-decane 5.59
    butyronitrile 41.78
    3,7-dimethyl-1-octanol 70.51
    1-chlorooctane 30.96
    1-chlorotetradecane 12.38
    n-nonane 4.36
    undecane 4.48
    tert-butylcyclohexane 1.96
    cyclooctane 0.67
    cyclopentanol 85.66
    tetrahydropyran 125.06
    tert-amyl methyl ether 83.29
    2,5,8-trioxanonane 352.29
    1-hexene 6.28
    2-isopropoxyethanol 160.79
    2,2,2-trifluoroethanol 82.19
    methyl butyrate 81.24

    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