Calcium Folinate

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  • Identifiers

    CAS number
    1492-18-8

    Molecular formula
    C20H23CaN7O7

    SMILES
    C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[Ca]

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 81.22%
    Savory 34.62%
    Meaty 25.95%
    Cooked 24.42%
    Roasted 18.33%
    Bitter 18.22%
    Cooling 18.13%
    Milky 17.46%
    Burnt 15.65%
    Popcorn 13.78%

     

    Flavor
    Bitter 77.31%
    Odorless 58.39%
    Bland 30.04%
    Mild 26.33%
    Very mild 24.95%
    Sweet-like 21.86%
    Yeast 20.58%
    Nitrile 19.81%
    Bread crust 18.56%
    Taco 18.48%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    5.96 (weak acid)

    Molecular weight
    513.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    304°C

    Flash point

    • 403.68 ˚C est.

    Solubility expt.

    • DMSO « 1 (mg/mL)
    • H2O 100 (mg/mL)
    • 0.1 N NaOH < 20 (mg/mL)

  • Synonyms

    • calcium folinate
    • 1492-18-8
    • calcio folinato
    • RefChem:1080685
    • V03AF03
    • Folinate de calcium
    • Folinato calcico
    • s5136
    • 1492-18-8

  • Applications

    Calcium Folinate is the calcium salt of folinic acid (a reduced folate) and is primarily used as an active pharmaceutical ingredient in leucovorin calcium formulations, supplying folate in pharmaceutical products. In pharmaceutical contexts, it serves as the active component in leucovorin formulations; in biochemical and cell culture research it is commonly used as a folate source for culture media and assays related to one-carbon metabolism. It also functions as an intermediate or precursor in the synthesis of folate-related pharmaceutical compounds. In analytical chemistry, Calcium Folinate may be used as a reference standard or calibration material for folate quantification methods. It may also be evaluated for use as a folate source in certain pharmaceutical-grade nutritional supplements under regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.15
    methanol 0.56
    isopropanol 0.06
    water 0.11
    ethyl acetate 0.01
    n-propanol 0.12
    acetone 0.04
    n-butanol 0.07
    acetonitrile 0.02
    DMF 2.6
    toluene 0.01
    isobutanol 0.04
    1,4-dioxane 0.09
    methyl acetate 0.04
    THF 0.24
    2-butanone 0.09
    n-pentanol 0.03
    sec-butanol 0.06
    n-hexane 0.0
    ethylene glycol 0.65
    NMP 3.74
    cyclohexane 0.0
    DMSO 4.59
    n-butyl acetate 0.01
    n-octanol 0.01
    chloroform 0.01
    n-propyl acetate 0.01
    acetic acid 0.47
    dichloromethane 0.01
    cyclohexanone 0.12
    propylene glycol 0.64
    isopropyl acetate 0.01
    DMAc 3.88
    2-ethoxyethanol 0.51
    isopentanol 0.03
    n-heptane 0.0
    ethyl formate 0.07
    1,2-dichloroethane 0.01
    n-hexanol 0.01
    2-methoxyethanol 2.34
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.01
    transcutol 0.44
    n-heptanol 0.02
    ethylbenzene 0.0
    MIBK 0.01
    2-propoxyethanol 0.24
    tert-butanol 0.02
    MTBE 0.01
    2-butoxyethanol 0.22
    propionic acid 0.18
    o-xylene 0.0
    formic acid 3.07
    diethyl ether 0.02
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.06
    n-octane 0.0
    formamide 2.79
    cyclopentanone 0.24
    2-pentanone 0.04
    anisole 0.01
    cyclopentyl methyl ether 0.03
    gamma-butyrolactone 0.3
    1-methoxy-2-propanol 0.63
    pyridine 0.11
    3-pentanone 0.04
    furfural 0.59
    n-dodecane 0.0
    diethylene glycol 0.54
    diisopropyl ether 0.0
    tert-amyl alcohol 0.03
    acetylacetone 0.03
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.05
    isopentyl acetate 0.01
    trichloroethylene 0.02
    n-nonanol 0.01
    cyclohexanol 0.03
    benzyl alcohol 0.03
    2-ethylhexanol 0.01
    isooctanol 0.01
    dipropyl ether 0.02
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.06
    propylene carbonate 0.07
    n-methylformamide 1.2
    2-pentanol 0.02
    n-pentane 0.0
    1-propoxy-2-propanol 0.11
    1-methoxy-2-propyl acetate 0.03
    2-(2-methoxypropoxy) propanol 0.17
    mesitylene 0.0
    ε-caprolactone 0.11
    p-cymene 0.0
    epichlorohydrin 0.17
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.75
    morpholine-4-carbaldehyde 1.8
    sulfolane 1.33
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.06
    n-hexyl acetate 0.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.25
    sec-butyl acetate 0.01
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 3.41
    diglyme 0.58
    acrylic acid 0.37
    isopropyl myristate 0.0
    n-butyric acid 0.11
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.01
    ethyl propionate 0.02
    nitromethane 0.5
    1,2-diethoxyethane 0.03
    benzonitrile 0.01
    trioctyl phosphate 0.01
    1-bromopropane 0.01
    gamma-valerolactone 1.12
    n-decanol 0.01
    triethyl phosphate 0.02
    4-methyl-2-pentanol 0.01
    propionitrile 0.03
    vinylene carbonate 0.08
    1,1,2-trichlorotrifluoroethane 0.75
    DMS 0.02
    cumene 0.0
    2-octanol 0.01
    2-hexanone 0.02
    octyl acetate 0.01
    limonene 0.0
    1,2-dimethoxyethane 0.52
    ethyl orthosilicate 0.01
    tributyl phosphate 0.01
    diacetone alcohol 0.06
    N,N-dimethylaniline 0.01
    acrylonitrile 0.07
    aniline 0.03
    1,3-propanediol 0.75
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.01
    tetrabutyl urea 0.03
    diisobutyl methanol 0.0
    2-phenylethanol 0.01
    styrene 0.0
    dioctyl adipate 0.01
    dimethyl sulfate 0.21
    ethyl butyrate 0.01
    methyl lactate 0.26
    butyl lactate 0.05
    diethyl carbonate 0.01
    propanediol butyl ether 0.21
    triethyl orthoformate 0.02
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.04
    morpholine 0.29
    tert-butylamine 0.01
    n-dodecanol 0.0
    dimethoxymethane 0.4
    ethylene carbonate 0.04
    cyrene 0.33
    2-ethoxyethyl acetate 0.03
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.05
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.0
    DEF 0.17
    dimethyl isosorbide 0.17
    tetrachloroethylene 0.02
    eugenol 0.07
    triacetin 0.02
    span 80 0.09
    1,4-butanediol 0.15
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.02
    methyl formate 0.46
    2-methyl-1-butanol 0.04
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.0
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.08
    tetrahydropyran 0.04
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.38
    1-hexene 0.0
    2-isopropoxyethanol 0.1
    2,2,2-trifluoroethanol 0.32
    methyl butyrate 0.03

    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