Calcium oxoglurate

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  • Identifiers

    CAS number
    71686-01-6

    Molecular formula
    C5H4CaO5

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.32%
    Sweet 46.59%
    Caramellic 41.78%
    Buttery 33.19%
    Sour 31.13%
    Winey 27.32%
    Burnt 27.12%
    Creamy 26.35%
    Fatty 25.63%
    Sharp 20.03%

     

    Flavor
    Odorless 48.32%
    Very mild 33.88%
    Nutty 30.81%
    Caramellic 27.21%
    Sour 26.03%
    Musty 23.09%
    Buttery 22.04%
    Mild 21.51%
    Yeast 20.98%
    Sweet-like 20.29%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.12 (strong acid)

    Molecular weight
    184.16 g/mol

    Flash point

    • 142.76 ˚C est.

  • Synonyms

    • Calcium 2-oxoglutarate
    • 71686-01-6
    • Calcium oxoglurate
    • 95PE00B13W
    • EINECS 275-843-2
    • CALCIUM OXOGLURATE [WHO-DD]
    • CALCIUM .ALPHA.-KETOGLUTARATE
    • PENTANEDIOIC ACID, 2-OXO-, CALCIUM SALT
    • PENTANEDIOIC ACID, 2-OXO-, CALCIUM SALT (1:1)
    • RefChem:573538
    • calcium alpha-ketoglutarate
    • calcium 2-oxopentanedioate
    • calcium;2-oxopentanedioate
    • Calcium2-oxoglutarate
    • Pentanedioic acid,2-oxo-, calcium salt (1:1)
    • C5H4CaO5
    • UNII-95PE00B13W
    • alpha- Ketoglutarate calcium
    • SCHEMBL1042909
    • DTXSID00992299
    • LADYPAWUSNPKJF-UHFFFAOYSA-L
    • HY-W013636B
    • s3166
    • AKOS015892855
    • FC40259
    • Calcium 2-oxoglutarate, 71686-01-6
    • DA-71874
    • CS-0113338
    • NS00092229
    • Q27271811
    • 71686-01-6

  • Applications

    Calcium oxoglurate (CAS 71686-01-6) is the calcium salt of alpha-ketoglutaric acid and is primarily used as a calcium source in agriculture; it also acts as a metal-chelating agent in industrial formulations and cleaning products. It serves as a chemical intermediate for the synthesis of alpha-ketoglutarate-derived compounds and related organic building blocks. In food processing and animal feed, it may be used as a calcium source, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 887.77
    methanol 1967.09
    isopropanol 480.38
    water 147.38
    ethyl acetate 1150.2
    n-propanol 516.42
    acetone 3418.06
    n-butanol 390.72
    acetonitrile 2292.11
    DMF 9749.54
    toluene 696.46
    isobutanol 305.69
    1,4-dioxane 1877.29
    methyl acetate 1874.22
    THF 1594.59
    2-butanone 1675.96
    n-pentanol 373.55
    sec-butanol 394.1
    n-hexane 21.69
    ethylene glycol 624.07
    NMP 4882.98
    cyclohexane 20.26
    DMSO 8731.23
    n-butyl acetate 479.08
    n-octanol 264.11
    chloroform 478.03
    n-propyl acetate 701.88
    acetic acid 1414.6
    dichloromethane 1401.33
    cyclohexanone 1194.48
    propylene glycol 372.89
    isopropyl acetate 526.99
    DMAc 4823.41
    2-ethoxyethanol 1688.9
    isopentanol 322.8
    n-heptane 22.97
    ethyl formate 1092.73
    1,2-dichloroethane 1607.73
    n-hexanol 236.17
    2-methoxyethanol 2411.28
    isobutyl acetate 211.52
    tetrachloromethane 47.18
    n-pentyl acetate 401.23
    transcutol 3157.36
    n-heptanol 166.37
    ethylbenzene 303.96
    MIBK 520.39
    2-propoxyethanol 897.98
    tert-butanol 632.36
    MTBE 607.33
    2-butoxyethanol 500.16
    propionic acid 890.29
    o-xylene 517.76
    formic acid 1860.96
    diethyl ether 720.83
    m-xylene 403.18
    p-xylene 324.89
    chlorobenzene 755.98
    dimethyl carbonate 1228.24
    n-octane 17.22
    formamide 3909.23
    cyclopentanone 2031.21
    2-pentanone 1121.5
    anisole 1362.46
    cyclopentyl methyl ether 705.46
    gamma-butyrolactone 3097.79
    1-methoxy-2-propanol 1417.16
    pyridine 2476.68
    3-pentanone 975.08
    furfural 3486.02
    n-dodecane 21.19
    diethylene glycol 1049.07
    diisopropyl ether 149.85
    tert-amyl alcohol 521.92
    acetylacetone 1738.96
    n-hexadecane 23.74
    acetophenone 1456.52
    methyl propionate 1479.47
    isopentyl acetate 313.4
    trichloroethylene 2206.31
    n-nonanol 238.88
    cyclohexanol 313.56
    benzyl alcohol 964.46
    2-ethylhexanol 151.21
    isooctanol 122.87
    dipropyl ether 245.86
    1,2-dichlorobenzene 697.17
    ethyl lactate 400.66
    propylene carbonate 1024.92
    n-methylformamide 4565.06
    2-pentanol 282.85
    n-pentane 26.63
    1-propoxy-2-propanol 525.82
    1-methoxy-2-propyl acetate 610.66
    2-(2-methoxypropoxy) propanol 666.66
    mesitylene 210.93
    ε-caprolactone 1200.92
    p-cymene 145.8
    epichlorohydrin 2906.09
    1,1,1-trichloroethane 418.71
    2-aminoethanol 651.76
    morpholine-4-carbaldehyde 4464.81
    sulfolane 3780.95
    2,2,4-trimethylpentane 17.57
    2-methyltetrahydrofuran 1014.43
    n-hexyl acetate 561.34
    isooctane 11.32
    2-(2-butoxyethoxy)ethanol 982.63
    sec-butyl acetate 322.79
    tert-butyl acetate 510.09
    decalin 20.52
    glycerin 652.32
    diglyme 1812.81
    acrylic acid 1348.32
    isopropyl myristate 212.13
    n-butyric acid 649.66
    acetyl acetate 701.81
    di(2-ethylhexyl) phthalate 207.58
    ethyl propionate 640.86
    nitromethane 6283.35
    1,2-diethoxyethane 923.17
    benzonitrile 1135.08
    trioctyl phosphate 145.92
    1-bromopropane 432.7
    gamma-valerolactone 3155.76
    n-decanol 191.06
    triethyl phosphate 175.12
    4-methyl-2-pentanol 149.73
    propionitrile 943.78
    vinylene carbonate 1306.4
    1,1,2-trichlorotrifluoroethane 1325.18
    DMS 757.57
    cumene 162.56
    2-octanol 143.59
    2-hexanone 702.03
    octyl acetate 310.41
    limonene 170.99
    1,2-dimethoxyethane 2378.26
    ethyl orthosilicate 145.21
    tributyl phosphate 202.22
    diacetone alcohol 735.1
    N,N-dimethylaniline 850.11
    acrylonitrile 2145.78
    aniline 940.09
    1,3-propanediol 766.1
    bromobenzene 651.82
    dibromomethane 652.87
    1,1,2,2-tetrachloroethane 1181.46
    2-methyl-cyclohexyl acetate 231.5
    tetrabutyl urea 368.12
    diisobutyl methanol 96.0
    2-phenylethanol 526.69
    styrene 552.13
    dioctyl adipate 337.79
    dimethyl sulfate 2366.99
    ethyl butyrate 361.95
    methyl lactate 833.39
    butyl lactate 325.84
    diethyl carbonate 254.2
    propanediol butyl ether 579.53
    triethyl orthoformate 228.69
    p-tert-butyltoluene 131.17
    methyl 4-tert-butylbenzoate 610.94
    morpholine 1855.14
    tert-butylamine 250.47
    n-dodecanol 146.14
    dimethoxymethane 3117.72
    ethylene carbonate 845.48
    cyrene 683.67
    2-ethoxyethyl acetate 809.29
    2-ethylhexyl acetate 236.43
    1,2,4-trichlorobenzene 806.65
    4-methylpyridine 2467.94
    dibutyl ether 288.02
    2,6-dimethyl-4-heptanol 96.0
    DEF 2036.23
    dimethyl isosorbide 927.62
    tetrachloroethylene 787.12
    eugenol 624.72
    triacetin 685.41
    span 80 461.42
    1,4-butanediol 422.02
    1,1-dichloroethane 718.19
    2-methyl-1-pentanol 274.81
    methyl formate 3775.99
    2-methyl-1-butanol 303.35
    n-decane 31.55
    butyronitrile 635.77
    3,7-dimethyl-1-octanol 217.38
    1-chlorooctane 141.9
    1-chlorotetradecane 66.99
    n-nonane 28.17
    undecane 26.05
    tert-butylcyclohexane 18.77
    cyclooctane 12.53
    cyclopentanol 370.66
    tetrahydropyran 745.37
    tert-amyl methyl ether 512.0
    2,5,8-trioxanonane 1256.04
    1-hexene 114.67
    2-isopropoxyethanol 802.2
    2,2,2-trifluoroethanol 786.32
    methyl butyrate 803.3

    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