Allantoin calcium pantothenate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4207-41-4

    Molecular formula
    C13H23CaN5O8+2

    SMILES
    CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N.[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.7%
    Savory 34.92%
    Cooling 30.22%
    Milky 24.55%
    Sweet 23.12%
    Meaty 22.35%
    Mint 19.97%
    Buttery 17.5%
    Alcoholic 16.48%
    Creamy 15.83%

     

    Flavor
    Odorless 58.56%
    Very mild 28.86%
    Mild 27.03%
    Bland 26.87%
    Sweet-like 24.02%
    Fruity 22.76%
    Yeast 21.03%
    Sour 20.83%
    Bitter 19.96%
    Very slight 19.21%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.3 (neutral)

    Molecular weight
    417.43 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    466°C

    Flash point

    • 225.37 ˚C est.

  • Synonyms

    • Allantoin calcium pantothenate
    • 4207-41-4
    • UNII-SM1342S52N
    • SM1342S52N
    • DTXSID80194911
    • Allantoin, di-D-pantothenate, calcium salt (1:1)
    • RefChem:110743
    • DTXCID20117402
    • ALLANTOIN CALCIUM PANTOTHENATE [INCI]
    • calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;(2,5-dioxoimidazolidin-4-yl)urea
    • Q27289273
    • 4207-41-4

  • Applications

    Allantoin calcium pantothenate is primarily used in cosmetics and personal care formulations as a skin-conditioning and soothing ingredient, leveraging the soothing properties of allantoin together with the vitamin B5 activity of pantothenate calcium. It is also encountered as a source of pantothenic acid in pharmaceutical and dietary-supplement contexts, where the calcium salt can contribute to vitamin B5 supply. In industrial formulation settings, it may serve as an ingredient within multi-component actives or as a formulation aid in complex cosmetic products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.33
    methanol 132.05
    isopropanol 10.11
    water 310.59
    ethyl acetate 1.26
    n-propanol 13.71
    acetone 3.66
    n-butanol 7.88
    acetonitrile 1.08
    DMF 177.31
    toluene 0.49
    isobutanol 8.47
    1,4-dioxane 9.43
    methyl acetate 1.15
    THF 20.35
    2-butanone 2.86
    n-pentanol 4.48
    sec-butanol 9.26
    n-hexane 0.46
    ethylene glycol 145.86
    NMP 176.23
    cyclohexane 0.67
    DMSO 253.82
    n-butyl acetate 0.89
    n-octanol 2.77
    chloroform 0.96
    n-propyl acetate 0.99
    acetic acid 70.54
    dichloromethane 0.87
    cyclohexanone 10.61
    propylene glycol 130.98
    isopropyl acetate 1.31
    DMAc 114.01
    2-ethoxyethanol 40.82
    isopentanol 6.75
    n-heptane 0.52
    ethyl formate 2.98
    1,2-dichloroethane 1.03
    n-hexanol 5.27
    2-methoxyethanol 131.03
    isobutyl acetate 0.67
    tetrachloromethane 0.63
    n-pentyl acetate 1.27
    transcutol 33.94
    n-heptanol 4.6
    ethylbenzene 0.59
    MIBK 4.64
    2-propoxyethanol 23.42
    tert-butanol 19.87
    MTBE 2.49
    2-butoxyethanol 13.86
    propionic acid 16.62
    o-xylene 1.23
    formic acid 496.3
    diethyl ether 1.45
    m-xylene 1.09
    p-xylene 0.75
    chlorobenzene 0.32
    dimethyl carbonate 3.4
    n-octane 0.31
    formamide 272.19
    cyclopentanone 15.32
    2-pentanone 3.51
    anisole 1.58
    cyclopentyl methyl ether 6.6
    gamma-butyrolactone 20.08
    1-methoxy-2-propanol 60.08
    pyridine 2.63
    3-pentanone 2.54
    furfural 21.53
    n-dodecane 0.15
    diethylene glycol 63.56
    diisopropyl ether 0.79
    tert-amyl alcohol 17.93
    acetylacetone 6.26
    n-hexadecane 0.17
    acetophenone 3.39
    methyl propionate 3.12
    isopentyl acetate 1.31
    trichloroethylene 1.9
    n-nonanol 2.72
    cyclohexanol 10.89
    benzyl alcohol 4.84
    2-ethylhexanol 2.47
    isooctanol 3.68
    dipropyl ether 1.49
    1,2-dichlorobenzene 0.62
    ethyl lactate 6.18
    propylene carbonate 7.85
    n-methylformamide 71.4
    2-pentanol 4.89
    n-pentane 0.45
    1-propoxy-2-propanol 11.19
    1-methoxy-2-propyl acetate 3.95
    2-(2-methoxypropoxy) propanol 15.15
    mesitylene 1.1
    ε-caprolactone 10.23
    p-cymene 0.86
    epichlorohydrin 9.37
    1,1,1-trichloroethane 0.61
    2-aminoethanol 155.89
    morpholine-4-carbaldehyde 92.92
    sulfolane 94.04
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 7.0
    n-hexyl acetate 2.21
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 19.87
    sec-butyl acetate 0.79
    tert-butyl acetate 3.29
    decalin 0.33
    glycerin 283.41
    diglyme 27.97
    acrylic acid 25.59
    isopropyl myristate 0.91
    n-butyric acid 11.93
    acetyl acetate 1.07
    di(2-ethylhexyl) phthalate 2.9
    ethyl propionate 1.31
    nitromethane 25.83
    1,2-diethoxyethane 1.95
    benzonitrile 1.22
    trioctyl phosphate 2.3
    1-bromopropane 0.53
    gamma-valerolactone 44.53
    n-decanol 1.97
    triethyl phosphate 1.68
    4-methyl-2-pentanol 4.28
    propionitrile 1.11
    vinylene carbonate 5.87
    1,1,2-trichlorotrifluoroethane 44.52
    DMS 2.14
    cumene 0.79
    2-octanol 2.37
    2-hexanone 1.88
    octyl acetate 1.36
    limonene 1.47
    1,2-dimethoxyethane 23.16
    ethyl orthosilicate 1.55
    tributyl phosphate 1.87
    diacetone alcohol 23.09
    N,N-dimethylaniline 3.13
    acrylonitrile 2.16
    aniline 2.03
    1,3-propanediol 92.06
    bromobenzene 0.22
    dibromomethane 0.62
    1,1,2,2-tetrachloroethane 2.64
    2-methyl-cyclohexyl acetate 2.05
    tetrabutyl urea 3.85
    diisobutyl methanol 2.04
    2-phenylethanol 3.8
    styrene 0.42
    dioctyl adipate 1.88
    dimethyl sulfate 15.55
    ethyl butyrate 1.06
    methyl lactate 20.57
    butyl lactate 4.87
    diethyl carbonate 0.68
    propanediol butyl ether 22.84
    triethyl orthoformate 1.38
    p-tert-butyltoluene 0.96
    methyl 4-tert-butylbenzoate 7.97
    morpholine 21.02
    tert-butylamine 5.61
    n-dodecanol 1.44
    dimethoxymethane 25.24
    ethylene carbonate 3.89
    cyrene 36.36
    2-ethoxyethyl acetate 2.23
    2-ethylhexyl acetate 0.94
    1,2,4-trichlorobenzene 0.93
    4-methylpyridine 2.03
    dibutyl ether 0.89
    2,6-dimethyl-4-heptanol 2.04
    DEF 12.84
    dimethyl isosorbide 21.24
    tetrachloroethylene 2.78
    eugenol 10.11
    triacetin 4.43
    span 80 14.74
    1,4-butanediol 33.88
    1,1-dichloroethane 0.46
    2-methyl-1-pentanol 4.65
    methyl formate 31.49
    2-methyl-1-butanol 7.76
    n-decane 0.28
    butyronitrile 1.15
    3,7-dimethyl-1-octanol 2.81
    1-chlorooctane 0.63
    1-chlorotetradecane 0.28
    n-nonane 0.28
    undecane 0.2
    tert-butylcyclohexane 0.29
    cyclooctane 0.41
    cyclopentanol 16.27
    tetrahydropyran 3.77
    tert-amyl methyl ether 3.77
    2,5,8-trioxanonane 24.51
    1-hexene 0.71
    2-isopropoxyethanol 14.92
    2,2,2-trifluoroethanol 37.03
    methyl butyrate 2.31

    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