Calcium pimelate

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  • Identifiers

    CAS number
    19455-79-9

    Molecular formula
    C7H10CaO4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.34%
    Sweet 28.23%
    Fatty 25.95%
    Sour 24.42%
    Savory 24.16%
    Buttery 22.98%
    Milky 20.98%
    Creamy 20.4%
    Musk 18.86%
    Cheesy 17.15%

     

    Flavor
    Odorless 46.19%
    Fruity 34.51%
    Sour 28.08%
    Mild 24.88%
    Cheese 24.44%
    Sweet 22.22%
    Acidic 21.2%
    Broccoli 20.36%
    Roquefort cheese 20.2%
    Yeast 20.1%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.1 (strong acid)

    Molecular weight
    198.23 g/mol

    Flash point

    • 109.01 ˚C est.

  • Synonyms

    • calcium pimelate
    • 19455-79-9
    • Calcium pimelate (1:1)
    • UNII-FG44CCG35F
    • FG44CCG35F
    • Pimelic acid, calcium salt (1:1)
    • 1,5-Pentane dicarboxylic acid, calcium salt
    • Heptanedioic acid, calcium salt (1:1)
    • DTXSID20173088
    • RefChem:122897
    • DTXCID7095579
    • PIMELICACID,CALCIUMSALT
    • calcium;heptanedioate
    • Calcium heptanedioate
    • SCHEMBL124505
    • NS00112932
    • Q27277972
    • 19455-79-9

  • Applications

    Calcium pimelate (CAS 19455-79-9) is the calcium salt of pimelic acid. In industry it is used as a calcium source and as an intermediate for the synthesis of ester derivatives and other specialty chemicals for polymers and lubricants; it can function as a stabilizer, processing aid, and crosslinking/compatibilizing agent in polyester systems and coatings; it serves as a chelating/metal-scavenging agent in detergents, cleaners, and metal-prep formulations; it is also employed as a building block for pimelate-derived compounds used to formulate specialty plasticizers, surfactants, and performance additives for adhesives and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.28
    methanol 694.0
    isopropanol 182.81
    water 26.13
    ethyl acetate 212.69
    n-propanol 179.61
    acetone 495.06
    n-butanol 142.61
    acetonitrile 204.75
    DMF 868.41
    toluene 44.31
    isobutanol 87.05
    1,4-dioxane 330.07
    methyl acetate 213.74
    THF 552.81
    2-butanone 205.66
    n-pentanol 88.41
    sec-butanol 105.03
    n-hexane 6.64
    ethylene glycol 167.84
    NMP 735.06
    cyclohexane 6.33
    DMSO 935.55
    n-butyl acetate 101.86
    n-octanol 78.16
    chloroform 112.86
    n-propyl acetate 101.28
    acetic acid 433.09
    dichloromethane 201.96
    cyclohexanone 252.12
    propylene glycol 132.0
    isopropyl acetate 112.28
    DMAc 564.71
    2-ethoxyethanol 246.44
    isopentanol 83.81
    n-heptane 7.96
    ethyl formate 231.93
    1,2-dichloroethane 171.65
    n-hexanol 74.45
    2-methoxyethanol 587.06
    isobutyl acetate 44.75
    tetrachloromethane 9.76
    n-pentyl acetate 110.31
    transcutol 617.87
    n-heptanol 54.85
    ethylbenzene 28.4
    MIBK 78.61
    2-propoxyethanol 216.89
    tert-butanol 174.14
    MTBE 66.2
    2-butoxyethanol 141.46
    propionic acid 219.77
    o-xylene 38.15
    formic acid 405.88
    diethyl ether 104.23
    m-xylene 36.35
    p-xylene 34.87
    chlorobenzene 66.73
    dimethyl carbonate 136.86
    n-octane 7.01
    formamide 642.76
    cyclopentanone 399.13
    2-pentanone 167.83
    anisole 83.68
    cyclopentyl methyl ether 135.49
    gamma-butyrolactone 691.58
    1-methoxy-2-propanol 331.88
    pyridine 217.92
    3-pentanone 107.13
    furfural 521.03
    n-dodecane 8.61
    diethylene glycol 246.9
    diisopropyl ether 26.47
    tert-amyl alcohol 102.44
    acetylacetone 262.46
    n-hexadecane 9.17
    acetophenone 100.03
    methyl propionate 201.95
    isopentyl acetate 76.69
    trichloroethylene 215.7
    n-nonanol 71.85
    cyclohexanol 99.76
    benzyl alcohol 91.23
    2-ethylhexanol 44.07
    isooctanol 38.85
    dipropyl ether 61.79
    1,2-dichlorobenzene 67.26
    ethyl lactate 79.4
    propylene carbonate 281.89
    n-methylformamide 613.08
    2-pentanol 71.68
    n-pentane 6.86
    1-propoxy-2-propanol 146.66
    1-methoxy-2-propyl acetate 136.99
    2-(2-methoxypropoxy) propanol 155.49
    mesitylene 25.43
    ε-caprolactone 285.87
    p-cymene 25.52
    epichlorohydrin 473.64
    1,1,1-trichloroethane 65.28
    2-aminoethanol 213.11
    morpholine-4-carbaldehyde 605.52
    sulfolane 703.49
    2,2,4-trimethylpentane 3.86
    2-methyltetrahydrofuran 229.38
    n-hexyl acetate 148.22
    isooctane 3.27
    2-(2-butoxyethoxy)ethanol 256.36
    sec-butyl acetate 54.71
    tert-butyl acetate 104.32
    decalin 7.32
    glycerin 203.88
    diglyme 342.23
    acrylic acid 222.21
    isopropyl myristate 61.21
    n-butyric acid 235.11
    acetyl acetate 127.16
    di(2-ethylhexyl) phthalate 69.04
    ethyl propionate 110.59
    nitromethane 821.97
    1,2-diethoxyethane 179.9
    benzonitrile 110.09
    trioctyl phosphate 53.66
    1-bromopropane 63.48
    gamma-valerolactone 677.98
    n-decanol 58.99
    triethyl phosphate 45.09
    4-methyl-2-pentanol 37.82
    propionitrile 134.75
    vinylene carbonate 248.87
    1,1,2-trichlorotrifluoroethane 228.28
    DMS 145.88
    cumene 22.1
    2-octanol 46.74
    2-hexanone 84.12
    octyl acetate 87.77
    limonene 33.59
    1,2-dimethoxyethane 324.51
    ethyl orthosilicate 40.38
    tributyl phosphate 65.7
    diacetone alcohol 166.72
    N,N-dimethylaniline 64.07
    acrylonitrile 218.14
    aniline 84.88
    1,3-propanediol 269.52
    bromobenzene 53.23
    dibromomethane 105.6
    1,1,2,2-tetrachloroethane 157.87
    2-methyl-cyclohexyl acetate 62.9
    tetrabutyl urea 103.53
    diisobutyl methanol 33.91
    2-phenylethanol 77.96
    styrene 33.47
    dioctyl adipate 93.01
    dimethyl sulfate 215.15
    ethyl butyrate 84.24
    methyl lactate 168.05
    butyl lactate 107.31
    diethyl carbonate 58.92
    propanediol butyl ether 164.8
    triethyl orthoformate 58.51
    p-tert-butyltoluene 24.93
    methyl 4-tert-butylbenzoate 119.15
    morpholine 374.44
    tert-butylamine 74.61
    n-dodecanol 48.41
    dimethoxymethane 406.75
    ethylene carbonate 209.77
    cyrene 147.49
    2-ethoxyethyl acetate 170.38
    2-ethylhexyl acetate 57.19
    1,2,4-trichlorobenzene 77.99
    4-methylpyridine 188.07
    dibutyl ether 81.27
    2,6-dimethyl-4-heptanol 33.91
    DEF 247.04
    dimethyl isosorbide 263.41
    tetrachloroethylene 91.18
    eugenol 129.52
    triacetin 151.7
    span 80 148.67
    1,4-butanediol 92.83
    1,1-dichloroethane 102.65
    2-methyl-1-pentanol 56.07
    methyl formate 482.38
    2-methyl-1-butanol 72.96
    n-decane 12.15
    butyronitrile 124.35
    3,7-dimethyl-1-octanol 60.68
    1-chlorooctane 38.02
    1-chlorotetradecane 20.13
    n-nonane 10.84
    undecane 10.09
    tert-butylcyclohexane 6.18
    cyclooctane 3.86
    cyclopentanol 155.97
    tetrahydropyran 173.56
    tert-amyl methyl ether 60.44
    2,5,8-trioxanonane 293.25
    1-hexene 24.5
    2-isopropoxyethanol 119.64
    2,2,2-trifluoroethanol 152.87
    methyl butyrate 139.98

    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