Calcium cis-1,2-cyclohexanedicarboxylate

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  • Identifiers

    CAS number
    491589-22-1

    Molecular formula
    C8H10CaO4

    SMILES
    C1CC[C@@H]([C@@H](C1)C(=O)[O-])C(=O)[O-].[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.86%
    Sweet 29.1%
    Fruity 27.3%
    Caramellic 21.6%
    Balsamic 18.48%
    Cooling 17.96%
    Buttery 17.77%
    Bitter 17.7%
    Sour 16.82%
    Nutty 16.56%

     

    Flavor
    Odorless 45.82%
    Very mild 24.52%
    Bitter 22.38%
    Mild 21.4%
    Faint 20.62%
    Urine 20.28%
    Fenugreek 20.05%
    Yeast 19.81%
    Sweet-like 19.77%
    Maple syrup 19.71%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    0.91 (strong acid)

    Molecular weight
    210.24 g/mol

    Flash point

    • 135.2 ˚C est.

  • Synonyms

    • Calcium cis-1,2-cyclohexanedicarboxylate
    • Hyperform HPN 20E
    • 491589-22-1
    • UNII-QB14054UHQ
    • QB14054UHQ
    • 1,2-CYCLOHEXANEDICARBOXYLIC ACID, CALCIUM SALT
    • 1,2-Cyclohexanedicarboxylic acid, calcium salt (1:1), (1R,2S)-rel-
    • DTXSID30197699
    • CALCIUM 1,2-CYCLOHEXANEDICARBOXYLATE, CIS-
    • Cis-1,2-Cyclohexanedicarboxylic acid, calcium salt
    • RefChem:122804
    • DTXCID40120190
    • 682-120-9
    • HPN 20E
    • SCHEMBL1893677
    • SCHEMBL29354760
    • XXHCQZDUJDEPSX-KNCHESJLSA-L
    • NS00112934
    • calcium (1R,2S)-cyclohexane-1,2-dicarboxylate
    • calcium;(1S,2R)-cyclohexane-1,2-dicarboxylate
    • Q27287172
    • 491589-22-1

  • Applications

    Calcium cis-1,2-cyclohexanedicarboxylate (CAS 491589-22-1) is the calcium salt of a dicarboxylic acid and may be used as a processing additive and stabilizer for polymers and coatings, helping improve thermal and formulation stability; it can act as a chelating agent and calcium source in stabilizer systems for plastics and elastomers, and may serve as a precursor or co-catalyst in certain polymerization or polycondensation processes. In coatings and inks, it may aid pigment dispersion and overall formulation stability, and help control metal ion interactions in the formulation. In cosmetics and personal care, it may be evaluated as a chelating agent to stabilize emulsions and preserve product integrity. In industrial manufacturing, it can function as a metal binding additive and processing aid for formulation control. In agriculture, it may be explored as a slow-release calcium source or stabilizer for specialty agrochemical formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 125.68
    methanol 211.55
    isopropanol 95.91
    water 6.63
    ethyl acetate 58.88
    n-propanol 87.34
    acetone 153.9
    n-butanol 76.58
    acetonitrile 102.27
    DMF 552.48
    toluene 30.82
    isobutanol 55.97
    1,4-dioxane 174.16
    methyl acetate 114.56
    THF 183.56
    2-butanone 114.46
    n-pentanol 52.24
    sec-butanol 80.4
    n-hexane 5.27
    ethylene glycol 74.83
    NMP 282.5
    cyclohexane 7.62
    DMSO 491.71
    n-butyl acetate 47.49
    n-octanol 55.28
    chloroform 110.19
    n-propyl acetate 30.29
    acetic acid 92.11
    dichloromethane 117.56
    cyclohexanone 112.27
    propylene glycol 57.26
    isopropyl acetate 37.94
    DMAc 408.29
    2-ethoxyethanol 123.78
    isopentanol 61.9
    n-heptane 4.03
    ethyl formate 68.44
    1,2-dichloroethane 129.83
    n-hexanol 59.83
    2-methoxyethanol 260.12
    isobutyl acetate 15.04
    tetrachloromethane 18.03
    n-pentyl acetate 45.0
    transcutol 292.33
    n-heptanol 42.73
    ethylbenzene 24.45
    MIBK 42.42
    2-propoxyethanol 117.69
    tert-butanol 107.46
    MTBE 63.52
    2-butoxyethanol 91.56
    propionic acid 69.52
    o-xylene 36.56
    formic acid 104.38
    diethyl ether 65.73
    m-xylene 24.41
    p-xylene 29.58
    chlorobenzene 50.88
    dimethyl carbonate 46.88
    n-octane 4.36
    formamide 197.18
    cyclopentanone 144.01
    2-pentanone 70.66
    anisole 54.52
    cyclopentyl methyl ether 58.46
    gamma-butyrolactone 159.75
    1-methoxy-2-propanol 148.26
    pyridine 113.26
    3-pentanone 61.62
    furfural 177.37
    n-dodecane 4.83
    diethylene glycol 144.51
    diisopropyl ether 17.68
    tert-amyl alcohol 97.23
    acetylacetone 88.38
    n-hexadecane 5.39
    acetophenone 62.06
    methyl propionate 73.27
    isopentyl acetate 43.07
    trichloroethylene 164.76
    n-nonanol 48.7
    cyclohexanol 60.17
    benzyl alcohol 60.19
    2-ethylhexanol 31.14
    isooctanol 30.99
    dipropyl ether 23.98
    1,2-dichlorobenzene 56.51
    ethyl lactate 35.47
    propylene carbonate 74.75
    n-methylformamide 220.67
    2-pentanol 51.04
    n-pentane 6.05
    1-propoxy-2-propanol 71.27
    1-methoxy-2-propyl acetate 58.57
    2-(2-methoxypropoxy) propanol 87.57
    mesitylene 20.1
    ε-caprolactone 97.53
    p-cymene 19.74
    epichlorohydrin 182.34
    1,1,1-trichloroethane 60.34
    2-aminoethanol 95.67
    morpholine-4-carbaldehyde 264.47
    sulfolane 235.74
    2,2,4-trimethylpentane 3.99
    2-methyltetrahydrofuran 100.65
    n-hexyl acetate 68.38
    isooctane 2.92
    2-(2-butoxyethoxy)ethanol 129.68
    sec-butyl acetate 21.79
    tert-butyl acetate 45.81
    decalin 6.66
    glycerin 95.63
    diglyme 214.44
    acrylic acid 74.71
    isopropyl myristate 28.01
    n-butyric acid 67.01
    acetyl acetate 41.98
    di(2-ethylhexyl) phthalate 31.96
    ethyl propionate 32.88
    nitromethane 214.33
    1,2-diethoxyethane 74.41
    benzonitrile 66.81
    trioctyl phosphate 26.16
    1-bromopropane 50.35
    gamma-valerolactone 193.81
    n-decanol 37.59
    triethyl phosphate 26.8
    4-methyl-2-pentanol 28.08
    propionitrile 67.24
    vinylene carbonate 83.17
    1,1,2-trichlorotrifluoroethane 133.42
    DMS 63.01
    cumene 19.52
    2-octanol 34.82
    2-hexanone 40.29
    octyl acetate 39.07
    limonene 23.02
    1,2-dimethoxyethane 176.22
    ethyl orthosilicate 23.93
    tributyl phosphate 27.07
    diacetone alcohol 87.72
    N,N-dimethylaniline 47.42
    acrylonitrile 106.01
    aniline 49.72
    1,3-propanediol 126.05
    bromobenzene 43.7
    dibromomethane 83.77
    1,1,2,2-tetrachloroethane 142.65
    2-methyl-cyclohexyl acetate 30.73
    tetrabutyl urea 44.01
    diisobutyl methanol 22.42
    2-phenylethanol 57.82
    styrene 27.75
    dioctyl adipate 37.77
    dimethyl sulfate 89.8
    ethyl butyrate 29.39
    methyl lactate 67.72
    butyl lactate 48.27
    diethyl carbonate 26.77
    propanediol butyl ether 97.99
    triethyl orthoformate 26.66
    p-tert-butyltoluene 19.28
    methyl 4-tert-butylbenzoate 66.28
    morpholine 189.19
    tert-butylamine 51.52
    n-dodecanol 27.85
    dimethoxymethane 171.94
    ethylene carbonate 62.76
    cyrene 72.95
    2-ethoxyethyl acetate 65.67
    2-ethylhexyl acetate 33.22
    1,2,4-trichlorobenzene 62.88
    4-methylpyridine 99.83
    dibutyl ether 34.35
    2,6-dimethyl-4-heptanol 22.42
    DEF 126.44
    dimethyl isosorbide 114.81
    tetrachloroethylene 101.02
    eugenol 78.53
    triacetin 55.87
    span 80 68.36
    1,4-butanediol 59.8
    1,1-dichloroethane 75.82
    2-methyl-1-pentanol 46.79
    methyl formate 151.81
    2-methyl-1-butanol 57.09
    n-decane 7.27
    butyronitrile 57.33
    3,7-dimethyl-1-octanol 43.46
    1-chlorooctane 28.89
    1-chlorotetradecane 13.05
    n-nonane 6.65
    undecane 5.86
    tert-butylcyclohexane 5.23
    cyclooctane 3.62
    cyclopentanol 73.39
    tetrahydropyran 87.49
    tert-amyl methyl ether 58.72
    2,5,8-trioxanonane 158.11
    1-hexene 17.83
    2-isopropoxyethanol 67.5
    2,2,2-trifluoroethanol 60.96
    methyl butyrate 46.75

    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