Calcium DL-pantothenate

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  • Identifiers

    CAS number
    63409-48-3

    Molecular formula
    C18H32CaN2O10

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

  • Odor profile

    Fragrance
    Odorless 61.38%
    Cooling 32.05%
    Savory 32.02%
    Sweet 27.39%
    Milky 23.28%
    Mint 20.85%
    Alcoholic 17.48%
    Meaty 17.08%
    Buttery 16.6%
    Fishy 15.51%

     

    Flavor
    Odorless 54.18%
    Very mild 26.93%
    Bland 26.79%
    Mild 24.75%
    Fruity 24.69%
    Sweet-like 23.74%
    Bitter 22.54%
    Yeast 20.1%
    Very slight 18.83%
    Roquefort cheese 18.72%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.47 (weak acid)

    Molecular weight
    476.5 g/mol

    Flash point

    • 212.43 ˚C est.

  • Synonyms

    • Calcium pantothenate hydrate
    • CALCIUM DL-PANTOTHENATE
    • 63409-48-3
    • Pantothenic acid, calcium salt hydrate
    • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), monohydrate
    • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), monohydrate, (+-)-
    • Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)-propanoate
    • Prestwick3_000472
    • Calcium pantothenate dextro
    • BSPBio_000604
    • BPBio1_000666
    • MFCD00063189
    • STL299808
    • NCGC00179508-01
    • AB00513846
    • DL-Pantothenic acid hemicalcium salt, >=97% (TLC)
    • calcium bis{3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate}
    • b-Alanine,N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)
    • DL-Pantothenic acid hemicalcium salt, suitable for cell culture, suitable for insect cell culture

  • Applications

    Calcium DL-pantothenate is used as a source of pantothenic acid in fortified foods and dietary supplements; it also serves as a vitamin ingredient in pharmaceutical products and nutraceuticals; in cosmetics and personal care formulations it can be incorporated as a vitamin B5 source to support conditioning and moisture retention; in agriculture and animal nutrition it is employed as an additive in feed to provide pantothenic acid to livestock and poultry, often formulated in nutritional premixes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.86
    methanol 326.03
    isopropanol 29.35
    water 327.73
    ethyl acetate 3.06
    n-propanol 38.52
    acetone 15.25
    n-butanol 19.59
    acetonitrile 3.58
    DMF 372.25
    toluene 1.05
    isobutanol 19.33
    1,4-dioxane 26.51
    methyl acetate 3.49
    THF 45.1
    2-butanone 8.18
    n-pentanol 9.75
    sec-butanol 22.0
    n-hexane 0.55
    ethylene glycol 221.19
    NMP 247.72
    cyclohexane 0.88
    DMSO 482.51
    n-butyl acetate 1.72
    n-octanol 5.24
    chloroform 2.77
    n-propyl acetate 2.15
    acetic acid 146.51
    dichloromethane 3.3
    cyclohexanone 22.59
    propylene glycol 198.07
    isopropyl acetate 2.63
    DMAc 194.32
    2-ethoxyethanol 80.76
    isopentanol 13.78
    n-heptane 0.54
    ethyl formate 8.37
    1,2-dichloroethane 3.3
    n-hexanol 9.12
    2-methoxyethanol 252.13
    isobutyl acetate 1.29
    tetrachloromethane 1.16
    n-pentyl acetate 2.38
    transcutol 63.49
    n-heptanol 7.18
    ethylbenzene 1.15
    MIBK 8.27
    2-propoxyethanol 38.85
    tert-butanol 41.33
    MTBE 5.32
    2-butoxyethanol 21.89
    propionic acid 33.89
    o-xylene 2.26
    formic acid 751.45
    diethyl ether 3.47
    m-xylene 1.94
    p-xylene 1.48
    chlorobenzene 0.85
    dimethyl carbonate 6.71
    n-octane 0.39
    formamide 485.05
    cyclopentanone 31.6
    2-pentanone 8.21
    anisole 3.71
    cyclopentyl methyl ether 10.53
    gamma-butyrolactone 41.07
    1-methoxy-2-propanol 107.91
    pyridine 6.96
    3-pentanone 5.1
    furfural 43.65
    n-dodecane 0.23
    diethylene glycol 95.48
    diisopropyl ether 1.31
    tert-amyl alcohol 34.3
    acetylacetone 14.44
    n-hexadecane 0.24
    acetophenone 7.29
    methyl propionate 6.64
    isopentyl acetate 2.24
    trichloroethylene 5.63
    n-nonanol 4.92
    cyclohexanol 18.9
    benzyl alcohol 10.89
    2-ethylhexanol 3.66
    isooctanol 5.45
    dipropyl ether 2.18
    1,2-dichlorobenzene 1.52
    ethyl lactate 10.53
    propylene carbonate 15.11
    n-methylformamide 165.18
    2-pentanol 9.29
    n-pentane 0.6
    1-propoxy-2-propanol 17.37
    1-methoxy-2-propyl acetate 6.53
    2-(2-methoxypropoxy) propanol 23.99
    mesitylene 1.74
    ε-caprolactone 19.93
    p-cymene 1.32
    epichlorohydrin 24.67
    1,1,1-trichloroethane 1.54
    2-aminoethanol 255.65
    morpholine-4-carbaldehyde 156.14
    sulfolane 150.7
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 14.27
    n-hexyl acetate 4.28
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 31.68
    sec-butyl acetate 1.48
    tert-butyl acetate 5.97
    decalin 0.44
    glycerin 364.11
    diglyme 47.26
    acrylic acid 51.41
    isopropyl myristate 1.59
    n-butyric acid 23.64
    acetyl acetate 2.52
    di(2-ethylhexyl) phthalate 4.9
    ethyl propionate 2.46
    nitromethane 72.44
    1,2-diethoxyethane 4.22
    benzonitrile 3.01
    trioctyl phosphate 3.68
    1-bromopropane 1.38
    gamma-valerolactone 86.59
    n-decanol 3.43
    triethyl phosphate 2.7
    4-methyl-2-pentanol 6.79
    propionitrile 2.99
    vinylene carbonate 12.64
    1,1,2-trichlorotrifluoroethane 75.74
    DMS 4.48
    cumene 1.34
    2-octanol 3.74
    2-hexanone 4.05
    octyl acetate 2.49
    limonene 2.23
    1,2-dimethoxyethane 49.46
    ethyl orthosilicate 2.4
    tributyl phosphate 3.13
    diacetone alcohol 36.68
    N,N-dimethylaniline 5.76
    acrylonitrile 5.99
    aniline 4.73
    1,3-propanediol 169.33
    bromobenzene 0.61
    dibromomethane 2.0
    1,1,2,2-tetrachloroethane 6.57
    2-methyl-cyclohexyl acetate 3.56
    tetrabutyl urea 6.33
    diisobutyl methanol 2.86
    2-phenylethanol 7.25
    styrene 0.93
    dioctyl adipate 3.56
    dimethyl sulfate 28.63
    ethyl butyrate 1.86
    methyl lactate 32.75
    butyl lactate 7.79
    diethyl carbonate 1.27
    propanediol butyl ether 36.41
    triethyl orthoformate 2.2
    p-tert-butyltoluene 1.45
    methyl 4-tert-butylbenzoate 12.49
    morpholine 52.46
    tert-butylamine 10.94
    n-dodecanol 2.41
    dimethoxymethane 56.96
    ethylene carbonate 8.41
    cyrene 51.66
    2-ethoxyethyl acetate 4.72
    2-ethylhexyl acetate 1.59
    1,2,4-trichlorobenzene 2.26
    4-methylpyridine 5.35
    dibutyl ether 1.66
    2,6-dimethyl-4-heptanol 2.86
    DEF 24.61
    dimethyl isosorbide 32.69
    tetrachloroethylene 6.28
    eugenol 15.7
    triacetin 8.24
    span 80 21.9
    1,4-butanediol 61.64
    1,1-dichloroethane 1.43
    2-methyl-1-pentanol 8.7
    methyl formate 78.8
    2-methyl-1-butanol 15.53
    n-decane 0.4
    butyronitrile 2.96
    3,7-dimethyl-1-octanol 4.65
    1-chlorooctane 1.16
    1-chlorotetradecane 0.49
    n-nonane 0.4
    undecane 0.29
    tert-butylcyclohexane 0.39
    cyclooctane 0.47
    cyclopentanol 28.69
    tetrahydropyran 8.89
    tert-amyl methyl ether 6.9
    2,5,8-trioxanonane 39.56
    1-hexene 1.12
    2-isopropoxyethanol 28.05
    2,2,2-trifluoroethanol 67.04
    methyl butyrate 4.53

    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