Calcium lactobionate anhydrous

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  • Identifiers

    CAS number
    5001-51-4

    Molecular formula
    C24H42CaO24

    SMILES
    C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 75.14%
    Sweet 48.86%
    Caramellic 20.99%
    Alcoholic 19.41%
    Savory 17.56%
    Milky 17.24%
    Cooling 16.65%
    Buttery 16.6%
    Clean 16.38%
    Bitter 16.12%

     

    Flavor
    Odorless 66.09%
    Sweet 48.97%
    Sweet-like 33.94%
    Bitter 33.82%
    Very mild 27.85%
    Bland 26.55%
    Very slight 21.26%
    Cauliflower 19.84%
    Yeast 19.28%
    Mild 19.19%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    0.78 (strong acid)

    Molecular weight
    754.7 g/mol

    Flash point

    • 302.17 ˚C est.

  • Synonyms

    • 5001-51-4
    • Calcium lactobionate anhydrous
    • Lactobionic acid, calcium salt (2:1)
    • 258F856K63
    • Calcium bis(4-O-(beta-D-galactosyl)-D-gluconate)
    • NSC-15850
    • D-Gluconic acid, 4-O-beta-D-galactopyranosyl-, calcium salt (2:1)
    • RefChem:200044
    • 225-668-2
    • Lactobionic acid calcium salt
    • MFCD00135895
    • calcium;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate
    • Calcium lactobionate hydrate
    • 110638-68-1
    • C24H42CaO24
    • calciumlactobionate
    • alcium lactobionate
    • UNII-258F856K63
    • EINECS 225-668-2
    • Lactobionic Acid Calcium Salt Hydrate
    • Calcium galactogluconate
    • orb2941136
    • Calcium 4-O-beta-D-galactopyranosyl-D-gluconate (1:2)
    • CHEMBL2106121
    • SCHEMBL29897305
    • DTXSID101362723
    • D-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-, calcium salt (2:1)
    • NSC 15850
    • FT29237
    • MC29407
    • SY103568
    • L0006
    • E78922
    • 4-O-?-D-Galactopyranosyl-D- gluconic acid calcium
    • Q27253935
    • CALCIUM BIS(4-O-(.BETA.-D-GALACTOSYL)-D-GLUCONATE)
    • calcium;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoate
    • 5001-51-4

  • Applications

    Calcium lactobionate anhydrous is the calcium salt of lactobionic acid, used primarily as a chelating agent to sequester metal ions and improve the stability of many formulations; it also serves as a calcium source and stabilization excipient in pharmaceutical products and may be used as a protein/enzyme stabilizer in bioprocessing; in cosmetics and personal care it acts as a stabilizer for emulsions and may provide humectant properties while helping mitigate metal-catalyzed oxidation; in industrial cleaning and processing it can function as a metal-sequestering component in detergents to improve performance and stability of surface-active systems; and it may be used as a calcium source in cell culture media for biotechnological applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.5
    methanol 3.32
    isopropanol 0.19
    water 377.82
    ethyl acetate 0.11
    n-propanol 0.28
    acetone 0.32
    n-butanol 0.17
    acetonitrile 0.14
    DMF 47.17
    toluene 0.13
    isobutanol 0.13
    1,4-dioxane 1.04
    methyl acetate 0.13
    THF 0.59
    2-butanone 0.17
    n-pentanol 0.1
    sec-butanol 0.18
    n-hexane 0.03
    ethylene glycol 37.35
    NMP 42.86
    cyclohexane 0.2
    DMSO 199.25
    n-butyl acetate 0.09
    n-octanol 0.21
    chloroform 0.03
    n-propyl acetate 0.06
    acetic acid 4.89
    dichloromethane 0.05
    cyclohexanone 0.63
    propylene glycol 10.16
    isopropyl acetate 0.09
    DMAc 23.72
    2-ethoxyethanol 3.02
    isopentanol 0.12
    n-heptane 0.14
    ethyl formate 0.17
    1,2-dichloroethane 0.09
    n-hexanol 0.22
    2-methoxyethanol 11.75
    isobutyl acetate 0.02
    tetrachloromethane 0.03
    n-pentyl acetate 0.11
    transcutol 5.56
    n-heptanol 0.3
    ethylbenzene 0.06
    MIBK 0.13
    2-propoxyethanol 2.54
    tert-butanol 0.28
    MTBE 0.08
    2-butoxyethanol 1.47
    propionic acid 0.9
    o-xylene 0.26
    formic acid 115.83
    diethyl ether 0.1
    m-xylene 0.15
    p-xylene 0.06
    chlorobenzene 0.03
    dimethyl carbonate 1.33
    n-octane 0.06
    formamide 73.1
    cyclopentanone 0.82
    2-pentanone 0.18
    anisole 0.12
    cyclopentyl methyl ether 0.52
    gamma-butyrolactone 1.39
    1-methoxy-2-propanol 5.63
    pyridine 0.51
    3-pentanone 0.25
    furfural 2.48
    n-dodecane 0.03
    diethylene glycol 13.33
    diisopropyl ether 0.06
    tert-amyl alcohol 0.27
    acetylacetone 0.68
    n-hexadecane 0.03
    acetophenone 0.27
    methyl propionate 0.44
    isopentyl acetate 0.06
    trichloroethylene 0.11
    n-nonanol 0.22
    cyclohexanol 0.61
    benzyl alcohol 0.34
    2-ethylhexanol 0.13
    isooctanol 0.16
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.04
    ethyl lactate 0.68
    propylene carbonate 0.44
    n-methylformamide 10.21
    2-pentanol 0.15
    n-pentane 0.05
    1-propoxy-2-propanol 1.43
    1-methoxy-2-propyl acetate 0.64
    2-(2-methoxypropoxy) propanol 1.88
    mesitylene 0.14
    ε-caprolactone 0.64
    p-cymene 0.1
    epichlorohydrin 0.41
    1,1,1-trichloroethane 0.02
    2-aminoethanol 12.66
    morpholine-4-carbaldehyde 23.49
    sulfolane 16.47
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.23
    n-hexyl acetate 0.13
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.64
    sec-butyl acetate 0.04
    tert-butyl acetate 0.15
    decalin 0.04
    glycerin 76.58
    diglyme 4.21
    acrylic acid 2.97
    isopropyl myristate 0.07
    n-butyric acid 0.41
    acetyl acetate 0.16
    di(2-ethylhexyl) phthalate 0.15
    ethyl propionate 0.1
    nitromethane 4.27
    1,2-diethoxyethane 0.33
    benzonitrile 0.09
    trioctyl phosphate 0.15
    1-bromopropane 0.03
    gamma-valerolactone 3.93
    n-decanol 0.18
    triethyl phosphate 0.22
    4-methyl-2-pentanol 0.09
    propionitrile 0.08
    vinylene carbonate 0.5
    1,1,2-trichlorotrifluoroethane 5.89
    DMS 0.38
    cumene 0.05
    2-octanol 0.15
    2-hexanone 0.07
    octyl acetate 0.11
    limonene 0.18
    1,2-dimethoxyethane 1.49
    ethyl orthosilicate 0.19
    tributyl phosphate 0.11
    diacetone alcohol 1.23
    N,N-dimethylaniline 0.3
    acrylonitrile 0.25
    aniline 0.36
    1,3-propanediol 4.59
    bromobenzene 0.02
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.17
    2-methyl-cyclohexyl acetate 0.13
    tetrabutyl urea 0.39
    diisobutyl methanol 0.12
    2-phenylethanol 0.32
    styrene 0.05
    dioctyl adipate 0.15
    dimethyl sulfate 7.19
    ethyl butyrate 0.12
    methyl lactate 4.89
    butyl lactate 0.47
    diethyl carbonate 0.1
    propanediol butyl ether 2.54
    triethyl orthoformate 0.23
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 0.78
    morpholine 1.76
    tert-butylamine 0.13
    n-dodecanol 0.14
    dimethoxymethane 4.66
    ethylene carbonate 0.33
    cyrene 4.94
    2-ethoxyethyl acetate 0.28
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.07
    4-methylpyridine 0.24
    dibutyl ether 0.1
    2,6-dimethyl-4-heptanol 0.12
    DEF 1.83
    dimethyl isosorbide 2.54
    tetrachloroethylene 0.22
    eugenol 0.91
    triacetin 0.51
    span 80 1.85
    1,4-butanediol 1.8
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.07
    methyl formate 4.07
    2-methyl-1-butanol 0.14
    n-decane 0.05
    butyronitrile 0.05
    3,7-dimethyl-1-octanol 0.1
    1-chlorooctane 0.06
    1-chlorotetradecane 0.03
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.14
    cyclopentanol 0.57
    tetrahydropyran 0.27
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 4.37
    1-hexene 0.03
    2-isopropoxyethanol 0.92
    2,2,2-trifluoroethanol 6.71
    methyl butyrate 0.12

    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