4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE

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  • Identifiers

    CAS number
    64703-98-6

    Molecular formula
    C15H20O6

    SMILES
    C=CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

  • Odor profile

    Fragrance
    Sweet 60.22%
    Spicy 39.6%
    Vanilla 28.4%
    Odorless 27.88%
    Balsamic 25.14%
    Floral 24.38%
    Bitter 22.64%
    Phenolic 20.84%
    Powdery 20.32%
    Warm 19.11%

     

    Flavor
    Bitter 59.8%
    Sweet 56.54%
    Floral 25.52%
    Spicy 25.36%
    Mild 24.18%
    Odorless 23.73%
    Sweet-like 21.71%
    Spice 20.53%
    Naphthalic 20.49%
    Vanilla 20.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.57 (neutral)

    Molecular weight
    296.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1023°C

    Flash point

    • 220.24 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 64703-98-6
    • 4-(2-Propenyl)phenyl-beta-d-glucopyranoside
    • FEMA No. 4548
    • Chavicol beta-d-glucoside
    • 4FNB38KJGB
    • beta-D-Glucopyranoside, 4-(2-propen-1-yl)phenyl
    • UNII-4FNB38KJGB
    • p-Allylphenyl beta-d-glucopyranoside
    • beta-D-Glucopyranoside, 4-(2-propenyl)phenyl
    • Chavicol |A-D-glucoside
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol
    • DTXSID00215036
    • CHAVICOL .BETA.-D-GLUCOSIDE
    • P-ALLYLPHENYL .BETA.-D-GLUCOPYRANOSIDE
    • 4-ALLYLPHENYL .BETA.-D-GLUCOPYRANOSIDE
    • 4-(2-PROPENYL)PHENYL-.BETA.-D-GLUCOPYRANOSIDE
    • .BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPENYL)PHENYL
    • .BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPEN-1-YL)PHENYL
    • chavicol-4-o-b-D-glucopyranoside
    • Chavicol beta-D-glucopyranoside
    • Compound NP-022501
    • CHEMBL179783
    • SCHEMBL5027443
    • DTXCID00137527
    • HY-N12095
    • AKOS040737696
    • DA-49646
    • 4-ALLYLPHENYL BETA-D-GLUCOPYRANOSIDE
    • CHAVICOL 1-O-BETA-D-GLUCOPYRANOSIDE
    • CS-0891669
    • G88988
    • 4-(2-propenyl)phenyl-beta-dextro-glucopyranoside
    • Q27259529
    • 2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-(4-allylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

  • Applications

    4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE (CAS 64703-98-6) is an aryl beta-D-glucoside used mainly as a fragrance precursor and synthetic intermediate. It can function as a latent fragrance source in perfumery and cosmetics, enabling controlled release of the allylphenol odor upon hydrolysis. It may be evaluated for applications in household cleaning products and coatings/inks where aroma release is desired. It also serves as an intermediate in the synthesis of aroma-related phenyl derivatives for flavor and fragrance applications. In food processing, it may be considered as a glycosylated aroma precursor under applicable regulatory controls. Additionally, it provides utility as a building block in industrial manufacturing for glycosylated aromatics or as a masked fragrance component in formulated systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.12
    methanol 130.02
    isopropanol 17.19
    water 9.37
    ethyl acetate 17.54
    n-propanol 20.42
    acetone 31.68
    n-butanol 45.47
    acetonitrile 12.61
    DMF 100.2
    toluene 4.75
    isobutanol 9.17
    1,4-dioxane 32.79
    methyl acetate 9.26
    THF 67.61
    2-butanone 11.97
    n-pentanol 7.67
    sec-butanol 13.9
    n-hexane 0.25
    ethylene glycol 111.95
    NMP 46.48
    cyclohexane 2.23
    DMSO 727.26
    n-butyl acetate 2.65
    n-octanol 6.25
    chloroform 2.2
    n-propyl acetate 3.08
    acetic acid 162.47
    dichloromethane 2.45
    cyclohexanone 22.03
    propylene glycol 75.03
    isopropyl acetate 8.98
    DMAc 139.05
    2-ethoxyethanol 81.4
    isopentanol 21.71
    n-heptane 0.96
    ethyl formate 12.08
    1,2-dichloroethane 4.68
    n-hexanol 8.37
    2-methoxyethanol 263.64
    isobutyl acetate 1.87
    tetrachloromethane 0.8
    n-pentyl acetate 3.79
    transcutol 178.53
    n-heptanol 7.48
    ethylbenzene 1.68
    MIBK 10.91
    2-propoxyethanol 42.43
    tert-butanol 25.64
    MTBE 6.05
    2-butoxyethanol 25.98
    propionic acid 27.23
    o-xylene 4.55
    formic acid 281.09
    diethyl ether 9.72
    m-xylene 4.25
    p-xylene 1.5
    chlorobenzene 1.83
    dimethyl carbonate 18.61
    n-octane 0.6
    formamide 314.95
    cyclopentanone 29.58
    2-pentanone 18.62
    anisole 5.87
    cyclopentyl methyl ether 20.5
    gamma-butyrolactone 36.86
    1-methoxy-2-propanol 136.25
    pyridine 13.78
    3-pentanone 10.33
    furfural 39.61
    n-dodecane 0.44
    diethylene glycol 98.19
    diisopropyl ether 2.63
    tert-amyl alcohol 18.14
    acetylacetone 40.32
    n-hexadecane 0.5
    acetophenone 9.05
    methyl propionate 17.61
    isopentyl acetate 3.8
    trichloroethylene 8.31
    n-nonanol 6.64
    cyclohexanol 25.08
    benzyl alcohol 13.8
    2-ethylhexanol 4.55
    isooctanol 6.31
    dipropyl ether 4.73
    1,2-dichlorobenzene 2.13
    ethyl lactate 12.89
    propylene carbonate 14.97
    n-methylformamide 62.54
    2-pentanol 19.45
    n-pentane 0.7
    1-propoxy-2-propanol 22.82
    1-methoxy-2-propyl acetate 15.55
    2-(2-methoxypropoxy) propanol 32.24
    mesitylene 2.92
    ε-caprolactone 17.89
    p-cymene 2.13
    epichlorohydrin 32.04
    1,1,1-trichloroethane 2.04
    2-aminoethanol 101.33
    morpholine-4-carbaldehyde 78.25
    sulfolane 95.75
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 18.08
    n-hexyl acetate 6.21
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 49.15
    sec-butyl acetate 2.66
    tert-butyl acetate 12.15
    decalin 0.55
    glycerin 189.87
    diglyme 82.67
    acrylic acid 41.59
    isopropyl myristate 3.79
    n-butyric acid 41.37
    acetyl acetate 14.43
    di(2-ethylhexyl) phthalate 6.22
    ethyl propionate 4.13
    nitromethane 146.0
    1,2-diethoxyethane 14.32
    benzonitrile 5.16
    trioctyl phosphate 5.04
    1-bromopropane 1.69
    gamma-valerolactone 54.86
    n-decanol 5.36
    triethyl phosphate 5.15
    4-methyl-2-pentanol 8.59
    propionitrile 5.49
    vinylene carbonate 13.08
    1,1,2-trichlorotrifluoroethane 69.79
    DMS 9.15
    cumene 1.37
    2-octanol 3.97
    2-hexanone 3.73
    octyl acetate 5.12
    limonene 3.33
    1,2-dimethoxyethane 53.27
    ethyl orthosilicate 5.0
    tributyl phosphate 4.94
    diacetone alcohol 41.9
    N,N-dimethylaniline 6.31
    acrylonitrile 10.52
    aniline 12.84
    1,3-propanediol 162.33
    bromobenzene 1.34
    dibromomethane 1.44
    1,1,2,2-tetrachloroethane 8.14
    2-methyl-cyclohexyl acetate 5.48
    tetrabutyl urea 8.42
    diisobutyl methanol 4.22
    2-phenylethanol 10.56
    styrene 1.67
    dioctyl adipate 8.22
    dimethyl sulfate 39.41
    ethyl butyrate 3.92
    methyl lactate 43.6
    butyl lactate 9.55
    diethyl carbonate 3.57
    propanediol butyl ether 31.34
    triethyl orthoformate 5.42
    p-tert-butyltoluene 2.35
    methyl 4-tert-butylbenzoate 17.37
    morpholine 50.26
    tert-butylamine 7.49
    n-dodecanol 4.28
    dimethoxymethane 77.18
    ethylene carbonate 11.07
    cyrene 35.52
    2-ethoxyethyl acetate 9.89
    2-ethylhexyl acetate 2.4
    1,2,4-trichlorobenzene 3.45
    4-methylpyridine 8.21
    dibutyl ether 3.94
    2,6-dimethyl-4-heptanol 4.22
    DEF 31.57
    dimethyl isosorbide 43.19
    tetrachloroethylene 7.16
    eugenol 19.03
    triacetin 15.46
    span 80 24.43
    1,4-butanediol 34.05
    1,1-dichloroethane 1.51
    2-methyl-1-pentanol 7.82
    methyl formate 43.95
    2-methyl-1-butanol 17.07
    n-decane 0.73
    butyronitrile 7.17
    3,7-dimethyl-1-octanol 6.31
    1-chlorooctane 1.86
    1-chlorotetradecane 1.02
    n-nonane 0.63
    undecane 0.56
    tert-butylcyclohexane 0.34
    cyclooctane 1.2
    cyclopentanol 20.19
    tetrahydropyran 17.63
    tert-amyl methyl ether 7.52
    2,5,8-trioxanonane 71.56
    1-hexene 0.67
    2-isopropoxyethanol 30.76
    2,2,2-trifluoroethanol 49.71
    methyl butyrate 5.66

    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