cis-Mulberroside A

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  • Identifiers

    CAS number
    166734-06-1

    Molecular formula
    C26H32O14

    SMILES
    C1=CC(=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)/C=C\C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.42%
    Sweet 32.17%
    Vanilla 29.41%
    Phenolic 21.9%
    Savory 21.49%
    Spicy 20.74%
    Bitter 20.36%
    Milky 20.0%
    Balsamic 18.67%
    Smoky 16.66%

     

    Flavor
    Bitter 74.74%
    Odorless 36.29%
    Bland 32.36%
    Sweet-like 28.06%
    Cedarleaf 20.41%
    Very mild 19.52%
    Parsley 19.29%
    Very slight 19.27%
    Nitrile 19.1%
    Eugenol 19.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.95 (neutral)

    Molecular weight
    568.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    5071°C

    Flash point

    • 322.34 ˚C est.

  • Synonyms

    • cis-Mulberroside A
    • 166734-06-1
    • DTXSID401316062
    • RefChem:1081968
    • DTXCID501745935
    • beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl
    • (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-(3-Hydroxy-4-((Z)-3-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)styryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • starbld0001036
    • orb1685024
    • HY-N0619A
    • AKOS040760074
    • FS-8144
    • DA-51935
    • CS-0144083
    • 3-{(Z)-2-[4-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]ethenyl}-5-hydroxyphenyl beta-D-glucopyranoside
    • 166734-06-1

  • Applications

    cis-Mulberroside A (CAS 166734-06-1) is a natural stilbene glycoside isolated from Morus species. In practice, it is mainly encountered in research and development contexts and as an analytical reference material for profiling Morus-derived materials. It is commonly used as an intermediate in the synthesis of natural-product compounds and as a reference standard for quality control of Morus extracts. Owing to its polyphenolic structure, it is evaluated for antioxidant activity and may be considered as a bioactive or stabilizing component in cosmetic formulations and related material systems. Additionally, cis-Mulberroside A may be explored as a natural additive for coatings or inks and can serve as a quality-marker compound in analytical methods. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.88
    methanol 10.01
    isopropanol 0.73
    water 0.27
    ethyl acetate 0.25
    n-propanol 2.04
    acetone 1.8
    n-butanol 1.02
    acetonitrile 0.35
    DMF 18.18
    toluene 0.12
    isobutanol 0.47
    1,4-dioxane 3.48
    methyl acetate 0.54
    THF 8.17
    2-butanone 1.27
    n-pentanol 0.42
    sec-butanol 0.66
    n-hexane 0.01
    ethylene glycol 5.89
    NMP 15.14
    cyclohexane 0.02
    DMSO 56.06
    n-butyl acetate 0.06
    n-octanol 0.41
    chloroform 0.1
    n-propyl acetate 0.09
    acetic acid 7.51
    dichloromethane 0.13
    cyclohexanone 1.6
    propylene glycol 7.88
    isopropyl acetate 0.12
    DMAc 17.53
    2-ethoxyethanol 6.48
    isopentanol 0.34
    n-heptane 0.02
    ethyl formate 0.6
    1,2-dichloroethane 0.14
    n-hexanol 0.19
    2-methoxyethanol 24.46
    isobutyl acetate 0.03
    tetrachloromethane 0.03
    n-pentyl acetate 0.22
    transcutol 9.14
    n-heptanol 0.43
    ethylbenzene 0.03
    MIBK 0.19
    2-propoxyethanol 3.12
    tert-butanol 0.31
    MTBE 0.15
    2-butoxyethanol 2.86
    propionic acid 1.65
    o-xylene 0.08
    formic acid 19.75
    diethyl ether 0.36
    m-xylene 0.06
    p-xylene 0.03
    chlorobenzene 0.03
    dimethyl carbonate 0.86
    n-octane 0.02
    formamide 18.0
    cyclopentanone 3.6
    2-pentanone 0.68
    anisole 0.17
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 3.53
    1-methoxy-2-propanol 8.98
    pyridine 1.38
    3-pentanone 0.5
    furfural 3.48
    n-dodecane 0.01
    diethylene glycol 5.51
    diisopropyl ether 0.03
    tert-amyl alcohol 0.34
    acetylacetone 1.03
    n-hexadecane 0.01
    acetophenone 0.21
    methyl propionate 0.75
    isopentyl acetate 0.05
    trichloroethylene 0.22
    n-nonanol 0.42
    cyclohexanol 0.56
    benzyl alcohol 0.43
    2-ethylhexanol 0.08
    isooctanol 0.21
    dipropyl ether 0.21
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.44
    propylene carbonate 0.57
    n-methylformamide 9.1
    2-pentanol 0.28
    n-pentane 0.02
    1-propoxy-2-propanol 1.33
    1-methoxy-2-propyl acetate 0.36
    2-(2-methoxypropoxy) propanol 2.1
    mesitylene 0.03
    ε-caprolactone 1.31
    p-cymene 0.02
    epichlorohydrin 2.53
    1,1,1-trichloroethane 0.03
    2-aminoethanol 7.98
    morpholine-4-carbaldehyde 14.5
    sulfolane 11.78
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.28
    n-hexyl acetate 0.29
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.88
    sec-butyl acetate 0.05
    tert-butyl acetate 0.13
    decalin 0.0
    glycerin 21.29
    diglyme 6.02
    acrylic acid 2.88
    isopropyl myristate 0.09
    n-butyric acid 1.19
    acetyl acetate 0.15
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.12
    nitromethane 7.64
    1,2-diethoxyethane 0.6
    benzonitrile 0.11
    trioctyl phosphate 0.15
    1-bromopropane 0.07
    gamma-valerolactone 11.94
    n-decanol 0.26
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.08
    propionitrile 0.25
    vinylene carbonate 0.6
    1,1,2-trichlorotrifluoroethane 6.51
    DMS 0.23
    cumene 0.02
    2-octanol 0.2
    2-hexanone 0.17
    octyl acetate 0.2
    limonene 0.04
    1,2-dimethoxyethane 3.62
    ethyl orthosilicate 0.09
    tributyl phosphate 0.1
    diacetone alcohol 1.01
    N,N-dimethylaniline 0.15
    acrylonitrile 0.55
    aniline 0.44
    1,3-propanediol 7.3
    bromobenzene 0.02
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 0.07
    tetrabutyl urea 0.31
    diisobutyl methanol 0.05
    2-phenylethanol 0.18
    styrene 0.03
    dioctyl adipate 0.24
    dimethyl sulfate 2.22
    ethyl butyrate 0.09
    methyl lactate 2.99
    butyl lactate 0.61
    diethyl carbonate 0.05
    propanediol butyl ether 3.83
    triethyl orthoformate 0.14
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.63
    morpholine 7.3
    tert-butylamine 0.08
    n-dodecanol 0.15
    dimethoxymethane 7.56
    ethylene carbonate 0.41
    cyrene 3.22
    2-ethoxyethyl acetate 0.63
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.52
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.65
    dimethyl isosorbide 2.07
    tetrachloroethylene 0.2
    eugenol 0.85
    triacetin 0.63
    span 80 2.02
    1,4-butanediol 1.66
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.19
    methyl formate 4.73
    2-methyl-1-butanol 0.45
    n-decane 0.02
    butyronitrile 0.2
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.12
    tetrahydropyran 1.2
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 4.46
    1-hexene 0.03
    2-isopropoxyethanol 1.49
    2,2,2-trifluoroethanol 2.55
    methyl butyrate 0.2

    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