Glycyrrhizic acid methyl ester

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  • Identifiers

    CAS number
    104191-95-9

    Molecular formula
    C43H62O16-2

    SMILES
    C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.35%
    Woody 44.19%
    Spicy 36.22%
    Dry 27.7%
    Amber 27.43%
    Cooling 24.99%
    Cedar 24.67%
    Balsamic 23.73%
    Warm 22.35%
    Mint 21.75%

     

    Flavor
    Bitter 79.09%
    Bland 26.06%
    Odorless 25.1%
    Sweet-like 23.69%
    Cedarleaf 22.8%
    Ripe apricot 21.0%
    Red fruit 20.52%
    Parsley 20.43%
    Patchouli 19.93%
    Fir 19.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    0.08 (strong acid)

    Molecular weight
    834.9 g/mol

    Flash point

    • 240.73 ˚C est.

  • Synonyms

    • Methyl glycyrrhizate
    • 104191-95-9
    • GAMME
    • Glycyrrhizic acid methyl ester
    • A4TET7070S
    • DTXSID801021582
    • RefChem:144015
    • DTXCID401506590
    • UNII-A4TET7070S
    • (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
    • GLYCYRRHIZIC ACID, METHYL ESTER
    • DA-65388
    • Q27273634
    • (2S,3S,4S,5R,6S)-5-(((2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-(methoxycarbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
    • .ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-29-METHOXY-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
    • 104191-95-9

  • Applications

    Glycyrrhizic acid methyl ester (CAS 104191-95-9) is principally used as an intermediate in the synthesis of glycyrrhizin derivatives; it may function as a non-ionic surfactant or emulsifier in cosmetic and personal care formulations; it can act as a solvent or processing aid in cleaning products and other industrial formulations; it is evaluated as an additive in coatings and inks to improve dispersion and stability; and it may serve as a plasticizer or stabilizer in certain polymer and adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.43
    methanol 22.94
    isopropanol 1.23
    water 0.06
    ethyl acetate 2.56
    n-propanol 1.83
    acetone 9.05
    n-butanol 0.64
    acetonitrile 2.47
    DMF 88.62
    toluene 0.87
    isobutanol 0.68
    1,4-dioxane 12.5
    methyl acetate 4.49
    THF 26.45
    2-butanone 3.69
    n-pentanol 0.61
    sec-butanol 0.56
    n-hexane 0.03
    ethylene glycol 6.65
    NMP 65.6
    cyclohexane 0.05
    DMSO 70.32
    n-butyl acetate 0.92
    n-octanol 0.49
    chloroform 5.88
    n-propyl acetate 1.3
    acetic acid 40.18
    dichloromethane 5.72
    cyclohexanone 4.05
    propylene glycol 5.76
    isopropyl acetate 1.46
    DMAc 54.07
    2-ethoxyethanol 9.68
    isopentanol 0.35
    n-heptane 0.03
    ethyl formate 2.8
    1,2-dichloroethane 2.79
    n-hexanol 0.43
    2-methoxyethanol 23.87
    isobutyl acetate 0.61
    tetrachloromethane 0.61
    n-pentyl acetate 1.32
    transcutol 14.49
    n-heptanol 0.58
    ethylbenzene 0.29
    MIBK 1.18
    2-propoxyethanol 9.7
    tert-butanol 0.81
    MTBE 0.68
    2-butoxyethanol 4.72
    propionic acid 4.18
    o-xylene 0.51
    formic acid 39.75
    diethyl ether 1.14
    m-xylene 0.53
    p-xylene 0.38
    chlorobenzene 0.98
    dimethyl carbonate 9.8
    n-octane 0.02
    formamide 33.25
    cyclopentanone 15.04
    2-pentanone 2.15
    anisole 1.58
    cyclopentyl methyl ether 3.1
    gamma-butyrolactone 24.95
    1-methoxy-2-propanol 12.9
    pyridine 7.71
    3-pentanone 1.96
    furfural 20.47
    n-dodecane 0.01
    diethylene glycol 15.41
    diisopropyl ether 0.2
    tert-amyl alcohol 0.5
    acetylacetone 9.47
    n-hexadecane 0.02
    acetophenone 2.45
    methyl propionate 5.1
    isopentyl acetate 0.64
    trichloroethylene 10.17
    n-nonanol 0.5
    cyclohexanol 0.49
    benzyl alcohol 2.03
    2-ethylhexanol 0.19
    isooctanol 0.37
    dipropyl ether 0.71
    1,2-dichlorobenzene 1.01
    ethyl lactate 2.24
    propylene carbonate 6.26
    n-methylformamide 30.39
    2-pentanol 0.29
    n-pentane 0.03
    1-propoxy-2-propanol 4.33
    1-methoxy-2-propyl acetate 4.17
    2-(2-methoxypropoxy) propanol 3.65
    mesitylene 0.26
    ε-caprolactone 4.39
    p-cymene 0.17
    epichlorohydrin 19.84
    1,1,1-trichloroethane 1.67
    2-aminoethanol 6.39
    morpholine-4-carbaldehyde 54.65
    sulfolane 47.96
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.48
    n-hexyl acetate 1.43
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.58
    sec-butyl acetate 0.6
    tert-butyl acetate 1.6
    decalin 0.03
    glycerin 16.53
    diglyme 12.53
    acrylic acid 10.65
    isopropyl myristate 0.32
    n-butyric acid 2.53
    acetyl acetate 3.96
    di(2-ethylhexyl) phthalate 0.75
    ethyl propionate 1.3
    nitromethane 64.63
    1,2-diethoxyethane 2.27
    benzonitrile 1.33
    trioctyl phosphate 0.44
    1-bromopropane 0.56
    gamma-valerolactone 36.04
    n-decanol 0.29
    triethyl phosphate 0.59
    4-methyl-2-pentanol 0.19
    propionitrile 1.29
    vinylene carbonate 7.65
    1,1,2-trichlorotrifluoroethane 31.15
    DMS 3.1
    cumene 0.17
    2-octanol 0.28
    2-hexanone 1.19
    octyl acetate 0.65
    limonene 0.21
    1,2-dimethoxyethane 11.61
    ethyl orthosilicate 0.52
    tributyl phosphate 0.39
    diacetone alcohol 4.09
    N,N-dimethylaniline 1.38
    acrylonitrile 3.97
    aniline 1.46
    1,3-propanediol 4.65
    bromobenzene 0.9
    dibromomethane 2.07
    1,1,2,2-tetrachloroethane 6.66
    2-methyl-cyclohexyl acetate 0.75
    tetrabutyl urea 0.88
    diisobutyl methanol 0.13
    2-phenylethanol 1.5
    styrene 0.36
    dioctyl adipate 0.86
    dimethyl sulfate 23.4
    ethyl butyrate 0.81
    methyl lactate 8.78
    butyl lactate 1.87
    diethyl carbonate 0.58
    propanediol butyl ether 5.89
    triethyl orthoformate 0.91
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 3.12
    morpholine 12.85
    tert-butylamine 0.21
    n-dodecanol 0.16
    dimethoxymethane 34.74
    ethylene carbonate 4.15
    cyrene 10.54
    2-ethoxyethyl acetate 4.28
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 1.82
    4-methylpyridine 3.58
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.13
    DEF 4.83
    dimethyl isosorbide 9.07
    tetrachloroethylene 4.71
    eugenol 3.28
    triacetin 4.1
    span 80 3.64
    1,4-butanediol 2.11
    1,1-dichloroethane 1.62
    2-methyl-1-pentanol 0.31
    methyl formate 29.43
    2-methyl-1-butanol 0.36
    n-decane 0.03
    butyronitrile 0.63
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 1.5
    tetrahydropyran 2.59
    tert-amyl methyl ether 0.55
    2,5,8-trioxanonane 7.27
    1-hexene 0.12
    2-isopropoxyethanol 3.77
    2,2,2-trifluoroethanol 12.76
    methyl butyrate 1.6

    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