Leonuriside

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  • Identifiers

    CAS number
    121748-12-7

    Molecular formula
    C14H20O9

    SMILES
    COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.33%
    Vanilla 42.99%
    Sweet 33.64%
    Phenolic 28.13%
    Milky 25.51%
    Creamy 23.35%
    Smoky 23.26%
    Balsamic 21.03%
    Caramellic 19.8%
    Spicy 19.46%

     

    Flavor
    Bitter 56.45%
    Odorless 36.85%
    Bland 32.45%
    Sweet-like 29.96%
    Sweet 25.93%
    Eugenol 22.21%
    Very slight 21.25%
    Parsley 21.19%
    Very mild 21.02%
    Cedarleaf 21.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.74 (neutral)

    Molecular weight
    332.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1418°C

    Flash point

    • 230.25 ˚C est.

  • Synonyms

    • leonuriside
    • RefChem:1088408
    • (2S,3R,4S,5S,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • Leonuriside A
    • 121748-12-7
    • 4-Hydroxy-2,6-dimethoxyphenyl beta-D-glucopyranoside
    • beta-D-Glucopyranoside, 4-hydroxy-2,6-dimethoxyphenyl
    • CHEMBL464406
    • MEGxp0_000622
    • SCHEMBL29655398
    • ACon1_000342
    • DTXSID301317681
    • NCGC00169168-01
    • |A-D-Glucopyranoside, 4-hydroxy-2,6-dimethoxyphenyl
    • 4-hydroxy-2,6-dimethoxyphenyl-beta-D-glucopyranoside
    • 2,6-dimethoxy-4-hydroquinone 1-O-beta-D-glucopyranoside
    • 4-hydroxy-2,6-dimethoxyphenol-1-O-beta-D-glucopyranoside
    • 121748-12-7

  • Applications

    Leonuriside (CAS 121748-12-7) may be used as an intermediate in organic synthesis and as a solvent or co-solvent in formulation work. It can serve as a precursor for downstream chemical transformations and may be evaluated as a fragrance component or odorant for perfumery. In industrial contexts, it can function as a processing aid or stabilizer in polymer, coating, and ink formulations, and may appear in cleaning products as a chelating or coordinating agent. Use is subject to local regulations and formulation guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.96
    methanol 32.46
    isopropanol 2.71
    water 25.94
    ethyl acetate 0.69
    n-propanol 4.21
    acetone 3.01
    n-butanol 2.18
    acetonitrile 1.23
    DMF 73.44
    toluene 0.28
    isobutanol 1.48
    1,4-dioxane 6.91
    methyl acetate 1.46
    THF 11.71
    2-butanone 1.68
    n-pentanol 1.28
    sec-butanol 1.95
    n-hexane 0.06
    ethylene glycol 79.55
    NMP 87.28
    cyclohexane 0.37
    DMSO 403.45
    n-butyl acetate 0.74
    n-octanol 1.72
    chloroform 0.49
    n-propyl acetate 0.71
    acetic acid 50.61
    dichloromethane 0.66
    cyclohexanone 5.49
    propylene glycol 34.12
    isopropyl acetate 0.52
    DMAc 72.22
    2-ethoxyethanol 22.63
    isopentanol 1.42
    n-heptane 0.25
    ethyl formate 2.67
    1,2-dichloroethane 1.0
    n-hexanol 1.65
    2-methoxyethanol 65.34
    isobutyl acetate 0.4
    tetrachloromethane 0.27
    n-pentyl acetate 0.93
    transcutol 27.51
    n-heptanol 2.08
    ethylbenzene 0.24
    MIBK 0.83
    2-propoxyethanol 13.72
    tert-butanol 3.43
    MTBE 0.6
    2-butoxyethanol 8.96
    propionic acid 7.84
    o-xylene 0.52
    formic acid 261.41
    diethyl ether 0.53
    m-xylene 0.32
    p-xylene 0.29
    chlorobenzene 0.25
    dimethyl carbonate 5.01
    n-octane 0.15
    formamide 201.05
    cyclopentanone 9.44
    2-pentanone 0.93
    anisole 0.91
    cyclopentyl methyl ether 2.23
    gamma-butyrolactone 17.06
    1-methoxy-2-propanol 23.69
    pyridine 2.88
    3-pentanone 0.98
    furfural 19.54
    n-dodecane 0.13
    diethylene glycol 47.62
    diisopropyl ether 0.19
    tert-amyl alcohol 2.67
    acetylacetone 3.58
    n-hexadecane 0.14
    acetophenone 2.25
    methyl propionate 2.05
    isopentyl acetate 0.83
    trichloroethylene 1.36
    n-nonanol 1.79
    cyclohexanol 3.38
    benzyl alcohol 3.09
    2-ethylhexanol 1.03
    isooctanol 1.57
    dipropyl ether 1.02
    1,2-dichlorobenzene 0.43
    ethyl lactate 5.38
    propylene carbonate 6.42
    n-methylformamide 37.26
    2-pentanol 0.84
    n-pentane 0.09
    1-propoxy-2-propanol 7.16
    1-methoxy-2-propyl acetate 3.4
    2-(2-methoxypropoxy) propanol 12.04
    mesitylene 0.29
    ε-caprolactone 6.26
    p-cymene 0.49
    epichlorohydrin 7.42
    1,1,1-trichloroethane 0.29
    2-aminoethanol 45.1
    morpholine-4-carbaldehyde 55.5
    sulfolane 80.73
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 2.71
    n-hexyl acetate 1.35
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 14.97
    sec-butyl acetate 0.4
    tert-butyl acetate 1.1
    decalin 0.12
    glycerin 127.42
    diglyme 23.01
    acrylic acid 17.29
    isopropyl myristate 0.8
    n-butyric acid 4.36
    acetyl acetate 1.23
    di(2-ethylhexyl) phthalate 2.02
    ethyl propionate 0.75
    nitromethane 38.21
    1,2-diethoxyethane 2.16
    benzonitrile 1.25
    trioctyl phosphate 1.78
    1-bromopropane 0.29
    gamma-valerolactone 27.85
    n-decanol 1.47
    triethyl phosphate 2.01
    4-methyl-2-pentanol 0.67
    propionitrile 0.99
    vinylene carbonate 5.96
    1,1,2-trichlorotrifluoroethane 40.63
    DMS 2.51
    cumene 0.25
    2-octanol 0.99
    2-hexanone 0.81
    octyl acetate 1.28
    limonene 0.8
    1,2-dimethoxyethane 13.39
    ethyl orthosilicate 1.66
    tributyl phosphate 1.63
    diacetone alcohol 7.4
    N,N-dimethylaniline 1.49
    acrylonitrile 2.65
    aniline 1.51
    1,3-propanediol 34.13
    bromobenzene 0.16
    dibromomethane 0.41
    1,1,2,2-tetrachloroethane 1.89
    2-methyl-cyclohexyl acetate 1.68
    tetrabutyl urea 3.38
    diisobutyl methanol 0.82
    2-phenylethanol 2.78
    styrene 0.23
    dioctyl adipate 2.13
    dimethyl sulfate 20.17
    ethyl butyrate 1.1
    methyl lactate 17.32
    butyl lactate 3.22
    diethyl carbonate 1.16
    propanediol butyl ether 11.59
    triethyl orthoformate 1.68
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 5.25
    morpholine 11.73
    tert-butylamine 1.02
    n-dodecanol 1.17
    dimethoxymethane 15.71
    ethylene carbonate 4.16
    cyrene 23.99
    2-ethoxyethyl acetate 2.11
    2-ethylhexyl acetate 0.63
    1,2,4-trichlorobenzene 0.77
    4-methylpyridine 1.42
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 0.82
    DEF 5.8
    dimethyl isosorbide 17.23
    tetrachloroethylene 1.92
    eugenol 6.16
    triacetin 4.0
    span 80 9.05
    1,4-butanediol 12.94
    1,1-dichloroethane 0.23
    2-methyl-1-pentanol 1.07
    methyl formate 21.79
    2-methyl-1-butanol 1.45
    n-decane 0.19
    butyronitrile 0.63
    3,7-dimethyl-1-octanol 1.19
    1-chlorooctane 0.44
    1-chlorotetradecane 0.27
    n-nonane 0.16
    undecane 0.15
    tert-butylcyclohexane 0.06
    cyclooctane 0.18
    cyclopentanol 4.72
    tetrahydropyran 2.08
    tert-amyl methyl ether 0.86
    2,5,8-trioxanonane 22.16
    1-hexene 0.13
    2-isopropoxyethanol 7.67
    2,2,2-trifluoroethanol 38.03
    methyl butyrate 1.24

    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