(2S)-7-((6-O-Acetyl-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    118985-26-5

    Molecular formula
    C24H26O12

    SMILES
    CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=O)C[C@H](OC3=C2)C4=CC(=C(C=C4)O)OC)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.33%
    Vanilla 45.63%
    Sweet 35.94%
    Creamy 26.64%
    Milky 26.45%
    Phenolic 25.35%
    Spicy 23.97%
    Balsamic 23.12%
    Powdery 19.71%
    Dairy 19.24%

     

    Flavor
    Bitter 83.38%
    Bland 34.87%
    Odorless 28.34%
    Sweet-like 25.37%
    Parsley 20.88%
    Cedarleaf 20.72%
    Lovage 20.12%
    Very mild 20.09%
    Eugenol 19.88%
    Ethyl benzoate 19.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.35 (neutral)

    Molecular weight
    506.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2080°C

    Flash point

    • 255.1 ˚C est.

  • Synonyms

    • Viscumneoside VI
    • 118985-26-5
    • Homoeriodictyol-7-O-(6''-O-acetyl)glucopyranoside
    • CHEBI:132860
    • DTXSID20152272
    • 4H-1-Benzopyran-4-one, 7-((6-O-acetyl-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, (S)-
    • RefChem:905879
    • GlyTouCan:G12682LM
    • DTXCID5074763
    • G12682LM
    • (2S)-7-((6-O-Acetyl-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
    • (3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl)oxy)oxan-2-yl)methyl acetate
    • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl acetate
    • homoeriodictyol-7-O-(6''-O-acetyl)-beta-D-glucopyranoside
    • (2S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside
    • (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-acetyl-beta-D-glucopyranoside
    • 118985-26-5

  • Applications

    Chemical name: (2S)-7-((6-O-Acetyl-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one; CAS 118985-26-5. Applications for this compound are primarily as a synthetic precursor and reference material for isoflavone glycoside synthesis and related derivatives, supporting pharmaceutical research and chemical synthesis; it is commonly used as an analytical standard and reference material in pharmaceutical-chemistry laboratories, and may be evaluated as a potential cosmetic ingredient or moisture-retaining additive in personal care formulations. In industrial research and materials, it can serve as a building block for glycosyl flavonoid derivatives explored for coating, resin, or adhesive applications; in agricultural and plant chemistry research, it may act as a scaffold for studying glycosyl flavonoids to probe biological activity and effects on plant growth.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.98
    methanol 12.36
    isopropanol 0.49
    water 0.03
    ethyl acetate 1.16
    n-propanol 2.26
    acetone 4.86
    n-butanol 1.7
    acetonitrile 1.18
    DMF 114.57
    toluene 0.1
    isobutanol 0.68
    1,4-dioxane 9.53
    methyl acetate 2.32
    THF 13.59
    2-butanone 3.99
    n-pentanol 0.48
    sec-butanol 0.79
    n-hexane 0.0
    ethylene glycol 8.79
    NMP 62.91
    cyclohexane 0.01
    DMSO 205.39
    n-butyl acetate 0.22
    n-octanol 0.58
    chloroform 0.4
    n-propyl acetate 0.4
    acetic acid 17.18
    dichloromethane 0.57
    cyclohexanone 5.26
    propylene glycol 12.07
    isopropyl acetate 0.42
    DMAc 84.17
    2-ethoxyethanol 22.28
    isopentanol 0.64
    n-heptane 0.01
    ethyl formate 3.44
    1,2-dichloroethane 0.53
    n-hexanol 0.15
    2-methoxyethanol 80.83
    isobutyl acetate 0.13
    tetrachloromethane 0.04
    n-pentyl acetate 0.46
    transcutol 25.82
    n-heptanol 0.41
    ethylbenzene 0.03
    MIBK 0.55
    2-propoxyethanol 9.0
    tert-butanol 0.42
    MTBE 0.22
    2-butoxyethanol 5.38
    propionic acid 4.66
    o-xylene 0.07
    formic acid 37.23
    diethyl ether 0.43
    m-xylene 0.06
    p-xylene 0.04
    chlorobenzene 0.09
    dimethyl carbonate 3.72
    n-octane 0.01
    formamide 44.47
    cyclopentanone 12.54
    2-pentanone 1.97
    anisole 0.45
    cyclopentyl methyl ether 0.95
    gamma-butyrolactone 16.94
    1-methoxy-2-propanol 25.97
    pyridine 2.82
    3-pentanone 1.38
    furfural 17.38
    n-dodecane 0.01
    diethylene glycol 17.39
    diisopropyl ether 0.04
    tert-amyl alcohol 0.49
    acetylacetone 5.45
    n-hexadecane 0.01
    acetophenone 0.75
    methyl propionate 3.02
    isopentyl acetate 0.2
    trichloroethylene 1.34
    n-nonanol 0.61
    cyclohexanol 0.61
    benzyl alcohol 0.91
    2-ethylhexanol 0.11
    isooctanol 0.27
    dipropyl ether 0.33
    1,2-dichlorobenzene 0.1
    ethyl lactate 2.02
    propylene carbonate 2.63
    n-methylformamide 42.29
    2-pentanol 0.34
    n-pentane 0.01
    1-propoxy-2-propanol 3.62
    1-methoxy-2-propyl acetate 1.61
    2-(2-methoxypropoxy) propanol 6.53
    mesitylene 0.03
    ε-caprolactone 4.7
    p-cymene 0.03
    epichlorohydrin 13.2
    1,1,1-trichloroethane 0.12
    2-aminoethanol 13.47
    morpholine-4-carbaldehyde 66.79
    sulfolane 51.94
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.63
    n-hexyl acetate 0.76
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 9.84
    sec-butyl acetate 0.18
    tert-butyl acetate 0.49
    decalin 0.0
    glycerin 46.16
    diglyme 22.19
    acrylic acid 8.46
    isopropyl myristate 0.24
    n-butyric acid 4.1
    acetyl acetate 0.96
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.65
    nitromethane 53.12
    1,2-diethoxyethane 1.67
    benzonitrile 0.4
    trioctyl phosphate 0.42
    1-bromopropane 0.13
    gamma-valerolactone 59.23
    n-decanol 0.37
    triethyl phosphate 0.45
    4-methyl-2-pentanol 0.12
    propionitrile 0.99
    vinylene carbonate 3.61
    1,1,2-trichlorotrifluoroethane 27.52
    DMS 0.98
    cumene 0.02
    2-octanol 0.21
    2-hexanone 0.57
    octyl acetate 0.52
    limonene 0.05
    1,2-dimethoxyethane 21.11
    ethyl orthosilicate 0.38
    tributyl phosphate 0.41
    diacetone alcohol 3.4
    N,N-dimethylaniline 0.3
    acrylonitrile 2.6
    aniline 0.54
    1,3-propanediol 15.5
    bromobenzene 0.05
    dibromomethane 0.17
    1,1,2,2-tetrachloroethane 1.05
    2-methyl-cyclohexyl acetate 0.28
    tetrabutyl urea 1.08
    diisobutyl methanol 0.08
    2-phenylethanol 0.36
    styrene 0.04
    dioctyl adipate 0.93
    dimethyl sulfate 12.09
    ethyl butyrate 0.44
    methyl lactate 10.77
    butyl lactate 1.5
    diethyl carbonate 0.32
    propanediol butyl ether 7.16
    triethyl orthoformate 0.62
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 1.73
    morpholine 14.67
    tert-butylamine 0.08
    n-dodecanol 0.22
    dimethoxymethane 27.79
    ethylene carbonate 2.34
    cyrene 9.83
    2-ethoxyethyl acetate 1.79
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.2
    4-methylpyridine 1.22
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.08
    DEF 6.77
    dimethyl isosorbide 8.35
    tetrachloroethylene 0.61
    eugenol 2.45
    triacetin 2.48
    span 80 4.04
    1,4-butanediol 3.35
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 0.29
    methyl formate 27.76
    2-methyl-1-butanol 0.84
    n-decane 0.02
    butyronitrile 0.65
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.26
    tetrahydropyran 1.48
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 15.78
    1-hexene 0.01
    2-isopropoxyethanol 4.36
    2,2,2-trifluoroethanol 6.91
    methyl butyrate 1.22

    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