Levomefolate glucosamine

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  • Identifiers

    CAS number
    1181972-37-1

    Molecular formula
    C32H51N9O16

    SMILES
    CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 81.15%
    Savory 35.66%
    Meaty 27.14%
    Cooked 24.0%
    Cooling 20.19%
    Milky 18.71%
    Bitter 17.85%
    Roasted 17.37%
    Burnt 14.59%
    Grape 13.53%

     

    Flavor
    Bitter 77.3%
    Odorless 60.28%
    Bland 32.09%
    Mild 27.6%
    Very mild 24.29%
    Sweet-like 22.57%
    Yeast 20.45%
    Nitrile 19.73%
    Cedarleaf 18.54%
    Bread crust 18.49%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    5.97 (weak acid)

    Molecular weight
    817.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    258°C

    Flash point

    • 386.89 ˚C est.

  • Synonyms

    • Levomefolate glucosamine
    • 1181972-37-1
    • UNII-Q65PL71Q1A
    • 5MTHF-glucosamine
    • Q65PL71Q1A
    • QUATREFOLIC
    • DTXSID101019760
    • (6S)-5-METHYLTETRAHYDROFOLATE GLUCOSAMINE
    • (6S)-5-METHYLTETRAHYDROFOLATE GLUCOSAMINE [WHO-DD]
    • RefChem:153217
    • DTXCID401477660
    • Glucosamine L-5-methyltetrahydrofolate
    • Glucose impurity 15
    • SCHEMBL29557400
    • Q27287046
    • (2R,3R,4S,5R)-2-Amino-3,4,5,6-tetrahydroxyhexanal hemi((4-((((S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamate)
    • N-[4-({[(6S)-2-Amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid--2-amino-2-deoxy-D-glucose (1/2)
    • 1181972-37-1

  • Applications

    Levomefolate glucosamine (CAS 1181972-37-1) is the glucosamine salt of levomefolic acid (5-MTHF). In industry, typical applications include: 1) as a dietary supplement ingredient and source of vitamin B9 in nutritional products; 2) as a pharmaceutical intermediate or component in the development of folate-related therapies or formulations; 3) as an intermediate for the synthesis of folate derivatives in chemical manufacturing; 4) as a biochemical/biomedical research reagent to study the role of folate in metabolic pathways and nucleotide synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 0.48
    isopropanol 0.04
    water 0.12
    ethyl acetate 0.01
    n-propanol 0.1
    acetone 0.03
    n-butanol 0.06
    acetonitrile 0.01
    DMF 1.52
    toluene 0.01
    isobutanol 0.03
    1,4-dioxane 0.07
    methyl acetate 0.02
    THF 0.16
    2-butanone 0.06
    n-pentanol 0.03
    sec-butanol 0.05
    n-hexane 0.0
    ethylene glycol 0.58
    NMP 2.72
    cyclohexane 0.0
    DMSO 2.39
    n-butyl acetate 0.01
    n-octanol 0.01
    chloroform 0.01
    n-propyl acetate 0.01
    acetic acid 0.29
    dichloromethane 0.01
    cyclohexanone 0.1
    propylene glycol 0.65
    isopropyl acetate 0.0
    DMAc 2.39
    2-ethoxyethanol 0.4
    isopentanol 0.03
    n-heptane 0.0
    ethyl formate 0.04
    1,2-dichloroethane 0.01
    n-hexanol 0.01
    2-methoxyethanol 1.76
    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 0.21
    tert-butanol 0.02
    MTBE 0.01
    2-butoxyethanol 0.21
    propionic acid 0.11
    o-xylene 0.01
    formic acid 2.49
    diethyl ether 0.02
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.03
    n-octane 0.0
    formamide 1.71
    cyclopentanone 0.17
    2-pentanone 0.03
    anisole 0.01
    cyclopentyl methyl ether 0.03
    gamma-butyrolactone 0.17
    1-methoxy-2-propanol 0.52
    pyridine 0.08
    3-pentanone 0.03
    furfural 0.36
    n-dodecane 0.0
    diethylene glycol 0.48
    diisopropyl ether 0.0
    tert-amyl alcohol 0.03
    acetylacetone 0.03
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.03
    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 0.01
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.04
    propylene carbonate 0.03
    n-methylformamide 0.65
    2-pentanol 0.02
    n-pentane 0.0
    1-propoxy-2-propanol 0.1
    1-methoxy-2-propyl acetate 0.02
    2-(2-methoxypropoxy) propanol 0.14
    mesitylene 0.0
    ε-caprolactone 0.08
    p-cymene 0.0
    epichlorohydrin 0.11
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.63
    morpholine-4-carbaldehyde 1.25
    sulfolane 0.88
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.04
    n-hexyl acetate 0.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.23
    sec-butyl acetate 0.0
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 3.55
    diglyme 0.46
    acrylic acid 0.24
    isopropyl myristate 0.0
    n-butyric acid 0.08
    acetyl acetate 0.0
    di(2-ethylhexyl) phthalate 0.01
    ethyl propionate 0.01
    nitromethane 0.23
    1,2-diethoxyethane 0.03
    benzonitrile 0.01
    trioctyl phosphate 0.01
    1-bromopropane 0.01
    gamma-valerolactone 0.82
    n-decanol 0.01
    triethyl phosphate 0.01
    4-methyl-2-pentanol 0.01
    propionitrile 0.02
    vinylene carbonate 0.04
    1,1,2-trichlorotrifluoroethane 0.65
    DMS 0.01
    cumene 0.0
    2-octanol 0.01
    2-hexanone 0.02
    octyl acetate 0.01
    limonene 0.0
    1,2-dimethoxyethane 0.32
    ethyl orthosilicate 0.01
    tributyl phosphate 0.01
    diacetone alcohol 0.06
    N,N-dimethylaniline 0.01
    acrylonitrile 0.04
    aniline 0.03
    1,3-propanediol 0.59
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.01
    tetrabutyl urea 0.02
    diisobutyl methanol 0.0
    2-phenylethanol 0.01
    styrene 0.0
    dioctyl adipate 0.01
    dimethyl sulfate 0.13
    ethyl butyrate 0.01
    methyl lactate 0.18
    butyl lactate 0.05
    diethyl carbonate 0.01
    propanediol butyl ether 0.24
    triethyl orthoformate 0.02
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.04
    morpholine 0.21
    tert-butylamine 0.01
    n-dodecanol 0.0
    dimethoxymethane 0.29
    ethylene carbonate 0.03
    cyrene 0.3
    2-ethoxyethyl acetate 0.02
    2-ethylhexyl acetate 0.0
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.04
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.0
    DEF 0.12
    dimethyl isosorbide 0.14
    tetrachloroethylene 0.02
    eugenol 0.07
    triacetin 0.02
    span 80 0.1
    1,4-butanediol 0.13
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.02
    methyl formate 0.24
    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 0.07
    tetrahydropyran 0.04
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.32
    1-hexene 0.0
    2-isopropoxyethanol 0.09
    2,2,2-trifluoroethanol 0.21
    methyl butyrate 0.02

    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