beta-D-Glucopyranoside, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)phenyl, 6-(3,4,5-trihydroxybenzoate)

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  • Identifiers

    CAS number
    141913-95-3

    Molecular formula
    C23H26O12

    SMILES
    COC1=C(C(=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.26%
    Phenolic 28.28%
    Spicy 27.44%
    Vanilla 25.93%
    Smoky 21.91%
    Burnt 21.62%
    Savory 20.97%
    Balsamic 20.84%
    Milky 20.66%
    Bitter 15.17%

     

    Flavor
    Bitter 74.92%
    Odorless 37.27%
    Bland 35.51%
    Sweet-like 25.33%
    Mild 22.5%
    Parsley 20.96%
    Eugenol 20.91%
    Very mild 20.84%
    Cedarleaf 20.3%
    Lovage 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.32 (weak base)

    Molecular weight
    494.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2402°C

    Flash point

    • 251.87 ˚C est.

  • Synonyms

    • pimentol
    • 141913-95-3
    • 3U53LNA6A3
    • DTXSID50161857
    • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
    • beta-D-Glucopyranoside, 2-hydroxy-3-methoxy-5-(2-propenyl)phenyl, 6-(3,4,5-trihydroxybenzoate)
    • ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
    • RefChem:1079661
    • DTXCID1084348
    • 932-797-4
    • beta-D-Glucopyranoside, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)phenyl, 6-(3,4,5-trihydroxybenzoate)
    • Ericifolin
    • UNII-3U53LNA6A3
    • CHEMBL498040
    • orb1990972
    • SCHEMBL29441969
    • CHEBI:175810
    • AKOS040735861
    • FS-7063
    • Q27258035
    • .BETA.-D-GLUCOPYRANOSIDE, 2-HYDROXY-3-METHOXY-5-(2-PROPENYL)PHENYL, 6-(3,4,5-TRIHYDROXYBENZOATE)
    • |A-D-Glucopyranoside, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)phenyl, 6-(3,4,5-trihydroxybenzoate)
    • 2-Hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
    • 141913-95-3

  • Applications

    beta-D-Glucopyranoside, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)phenyl, 6-(3,4,5-trihydroxybenzoate) (CAS 141913-95-3) is typically viewed as an intermediate in organic synthesis and as a functional additive in several industries. In cosmetics and personal care, it may act as an antioxidant and stabilizer or as a fragrance-related precursor. In coatings, inks and polymer systems, it can function as a stabilizer or antioxidant to improve durability. In pharmaceutical development, it may be used as a synthetic intermediate. It can also be explored as a fragrance ingredient or odorant precursor and in household or cleaning products as an aroma-contributing component or antioxidant, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.35
    methanol 67.96
    isopropanol 37.49
    water 1.99
    ethyl acetate 28.39
    n-propanol 44.39
    acetone 99.25
    n-butanol 23.52
    acetonitrile 17.0
    DMF 159.68
    toluene 1.71
    isobutanol 12.05
    1,4-dioxane 59.34
    methyl acetate 34.25
    THF 146.99
    2-butanone 45.5
    n-pentanol 8.39
    sec-butanol 25.43
    n-hexane 0.12
    ethylene glycol 96.85
    NMP 118.56
    cyclohexane 0.47
    DMSO 711.88
    n-butyl acetate 1.68
    n-octanol 4.83
    chloroform 2.25
    n-propyl acetate 3.36
    acetic acid 244.45
    dichloromethane 3.05
    cyclohexanone 28.27
    propylene glycol 109.89
    isopropyl acetate 9.76
    DMAc 211.59
    2-ethoxyethanol 114.13
    isopentanol 8.17
    n-heptane 0.35
    ethyl formate 15.78
    1,2-dichloroethane 4.37
    n-hexanol 3.54
    2-methoxyethanol 340.57
    isobutyl acetate 0.81
    tetrachloromethane 0.44
    n-pentyl acetate 4.14
    transcutol 78.13
    n-heptanol 5.11
    ethylbenzene 0.44
    MIBK 6.15
    2-propoxyethanol 37.41
    tert-butanol 20.52
    MTBE 7.7
    2-butoxyethanol 21.45
    propionic acid 55.57
    o-xylene 1.16
    formic acid 236.25
    diethyl ether 16.7
    m-xylene 0.8
    p-xylene 0.43
    chlorobenzene 0.59
    dimethyl carbonate 32.77
    n-octane 0.27
    formamide 280.92
    cyclopentanone 68.65
    2-pentanone 29.29
    anisole 3.04
    cyclopentyl methyl ether 19.85
    gamma-butyrolactone 78.51
    1-methoxy-2-propanol 177.1
    pyridine 19.24
    3-pentanone 17.15
    furfural 34.44
    n-dodecane 0.18
    diethylene glycol 66.23
    diisopropyl ether 1.65
    tert-amyl alcohol 15.3
    acetylacetone 54.21
    n-hexadecane 0.2
    acetophenone 3.79
    methyl propionate 38.68
    isopentyl acetate 1.17
    trichloroethylene 6.36
    n-nonanol 4.83
    cyclohexanol 15.05
    benzyl alcohol 6.37
    2-ethylhexanol 1.25
    isooctanol 2.79
    dipropyl ether 4.51
    1,2-dichlorobenzene 0.45
    ethyl lactate 8.85
    propylene carbonate 11.59
    n-methylformamide 104.25
    2-pentanol 12.36
    n-pentane 0.33
    1-propoxy-2-propanol 18.7
    1-methoxy-2-propyl acetate 8.77
    2-(2-methoxypropoxy) propanol 15.87
    mesitylene 0.41
    ε-caprolactone 24.14
    p-cymene 0.35
    epichlorohydrin 52.31
    1,1,1-trichloroethane 1.34
    2-aminoethanol 107.67
    morpholine-4-carbaldehyde 117.69
    sulfolane 129.69
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 34.52
    n-hexyl acetate 5.13
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 28.5
    sec-butyl acetate 1.85
    tert-butyl acetate 7.76
    decalin 0.09
    glycerin 217.76
    diglyme 49.11
    acrylic acid 65.1
    isopropyl myristate 1.66
    n-butyric acid 40.45
    acetyl acetate 13.02
    di(2-ethylhexyl) phthalate 1.92
    ethyl propionate 5.21
    nitromethane 277.47
    1,2-diethoxyethane 10.89
    benzonitrile 1.68
    trioctyl phosphate 1.99
    1-bromopropane 1.73
    gamma-valerolactone 120.52
    n-decanol 3.21
    triethyl phosphate 1.63
    4-methyl-2-pentanol 2.82
    propionitrile 7.93
    vinylene carbonate 10.02
    1,1,2-trichlorotrifluoroethane 67.83
    DMS 5.9
    cumene 0.24
    2-octanol 3.2
    2-hexanone 4.39
    octyl acetate 3.32
    limonene 0.7
    1,2-dimethoxyethane 52.49
    ethyl orthosilicate 1.54
    tributyl phosphate 1.59
    diacetone alcohol 32.84
    N,N-dimethylaniline 2.15
    acrylonitrile 13.75
    aniline 7.32
    1,3-propanediol 135.18
    bromobenzene 0.35
    dibromomethane 1.49
    1,1,2,2-tetrachloroethane 5.95
    2-methyl-cyclohexyl acetate 1.34
    tetrabutyl urea 3.46
    diisobutyl methanol 0.94
    2-phenylethanol 2.95
    styrene 0.5
    dioctyl adipate 3.28
    dimethyl sulfate 59.61
    ethyl butyrate 2.19
    methyl lactate 61.75
    butyl lactate 6.26
    diethyl carbonate 1.39
    propanediol butyl ether 26.66
    triethyl orthoformate 2.55
    p-tert-butyltoluene 0.39
    methyl 4-tert-butylbenzoate 6.69
    morpholine 104.63
    tert-butylamine 4.25
    n-dodecanol 2.1
    dimethoxymethane 133.58
    ethylene carbonate 8.82
    cyrene 22.34
    2-ethoxyethyl acetate 10.74
    2-ethylhexyl acetate 0.79
    1,2,4-trichlorobenzene 1.0
    4-methylpyridine 8.74
    dibutyl ether 2.87
    2,6-dimethyl-4-heptanol 0.94
    DEF 39.39
    dimethyl isosorbide 15.63
    tetrachloroethylene 3.9
    eugenol 7.06
    triacetin 9.45
    span 80 15.18
    1,4-butanediol 32.51
    1,1-dichloroethane 2.35
    2-methyl-1-pentanol 3.6
    methyl formate 74.07
    2-methyl-1-butanol 9.74
    n-decane 0.38
    butyronitrile 5.65
    3,7-dimethyl-1-octanol 2.01
    1-chlorooctane 1.03
    1-chlorotetradecane 0.37
    n-nonane 0.35
    undecane 0.25
    tert-butylcyclohexane 0.06
    cyclooctane 0.24
    cyclopentanol 30.37
    tetrahydropyran 29.37
    tert-amyl methyl ether 7.87
    2,5,8-trioxanonane 33.97
    1-hexene 0.45
    2-isopropoxyethanol 33.65
    2,2,2-trifluoroethanol 62.06
    methyl butyrate 5.96

    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