Rhododendrin

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  • Identifiers

    CAS number
    497-78-9

    Molecular formula
    C16H24O7

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.98%
    Sweet 47.78%
    Vanilla 36.68%
    Creamy 23.95%
    Bitter 23.56%
    Milky 23.33%
    Spicy 19.92%
    Phenolic 19.85%
    Balsamic 19.55%
    Fruity 18.43%

     

    Flavor
    Bitter 47.45%
    Sweet 42.7%
    Odorless 33.84%
    Mild 26.86%
    Sweet-like 26.0%
    Fatty 22.06%
    Mentholic 21.34%
    Bland 21.29%
    Metallic 21.21%
    Cauliflower 20.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.49 (neutral)

    Molecular weight
    328.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1175°C

    Flash point

    • 217.89 ˚C est.

  • Synonyms

    • Rhododendrin
    • (-)-rhododendrin
    • 497-78-9
    • Rhododendrin, (-)-
    • 5I7QR8C454
    • (1R)-3-(4-Hydroxyphenyl)-1-methylpropyl beta-D-glucopyranoside
    • beta-D-Glucopyranoside, (1R)-3-(4-hydroxyphenyl)-1-methylpropyl
    • DTXSID80964353
    • beta-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl, (R)-
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxane-3,4,5-triol
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((1R)-3-(4-hydroxyphenyl)-1-methyl-propoxy)tetrahydropyran-3,4,5-triol
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((2R)-4-(4-hydroxyphenyl)butan-2-yl)oxyoxane-3,4,5-triol
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propoxy]tetrahydropyran-3,4,5-triol
    • RefChem:179284
    • DTXCID001392054
    • (2R)-4-(4-Hydroxyphenyl)-2-butanyl beta-D-glucopyranoside
    • Betuloside
    • Rhododendrin [MI]
    • UNII-5I7QR8C454
    • CHEMBL1086682
    • C09965
    • (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-(((R)-4-(4-hydroxyphenyl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
    • AC1L9D1B
    • CHEBI:8832
    • SCHEMBL28971367
    • Q7321115
    • (2R)-4-(4-Hydroxyphenyl)butan-2-yl beta-D-glucopyranoside
    • (1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL .BETA.-D-GLUCOPYRANOSIDE
    • .BETA.-D-GLUCOPYRANOSIDE, (1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL
    • .BETA.-D-GLUCOPYRANOSIDE, 3-(4-HYDROXYPHENYL)-1-METHYLPROPYL, (R)-
    • 497-78-9

  • Applications

    Rhododendrin (CAS 497-78-9) is a plant-derived glycoside encountered in natural products research. In industrial contexts, typical applications include serving as an intermediate or lead scaffold for pharmaceutical discovery and for the synthesis of semi-synthetic glycosides; as a potential bioactive component in cosmetics and personal care formulations, where it may be evaluated for antioxidant activity or conditioning effects; as a fragrance precursor or odorant candidate for perfumery development; as a reference material for the analytical isolation and structural elucidation of plant glycosides; and as a building block in glycoside synthesis. Its use is subject to local regulations and formulation limits, and no health or safety claims are implied.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.5
    methanol 78.18
    isopropanol 5.49
    water 38.95
    ethyl acetate 4.81
    n-propanol 5.67
    acetone 11.97
    n-butanol 14.51
    acetonitrile 3.78
    DMF 70.49
    toluene 2.2
    isobutanol 2.6
    1,4-dioxane 22.38
    methyl acetate 2.07
    THF 40.53
    2-butanone 3.25
    n-pentanol 3.54
    sec-butanol 3.81
    n-hexane 0.16
    ethylene glycol 82.06
    NMP 41.17
    cyclohexane 1.27
    DMSO 642.87
    n-butyl acetate 0.96
    n-octanol 3.5
    chloroform 0.8
    n-propyl acetate 1.02
    acetic acid 62.68
    dichloromethane 0.93
    cyclohexanone 12.87
    propylene glycol 43.47
    isopropyl acetate 3.38
    DMAc 83.26
    2-ethoxyethanol 54.53
    isopentanol 8.17
    n-heptane 0.66
    ethyl formate 4.4
    1,2-dichloroethane 1.73
    n-hexanol 3.72
    2-methoxyethanol 166.94
    isobutyl acetate 0.68
    tetrachloromethane 0.49
    n-pentyl acetate 1.93
    transcutol 70.92
    n-heptanol 4.57
    ethylbenzene 0.94
    MIBK 4.64
    2-propoxyethanol 25.48
    tert-butanol 8.24
    MTBE 1.91
    2-butoxyethanol 16.8
    propionic acid 7.99
    o-xylene 2.5
    formic acid 222.47
    diethyl ether 2.99
    m-xylene 2.16
    p-xylene 0.9
    chlorobenzene 0.75
    dimethyl carbonate 8.12
    n-octane 0.44
    formamide 212.59
    cyclopentanone 18.3
    2-pentanone 7.44
    anisole 2.76
    cyclopentyl methyl ether 11.03
    gamma-butyrolactone 19.26
    1-methoxy-2-propanol 77.09
    pyridine 6.32
    3-pentanone 3.45
    furfural 22.47
    n-dodecane 0.28
    diethylene glycol 69.88
    diisopropyl ether 1.11
    tert-amyl alcohol 5.23
    acetylacetone 20.5
    n-hexadecane 0.31
    acetophenone 4.42
    methyl propionate 5.3
    isopentyl acetate 1.32
    trichloroethylene 2.6
    n-nonanol 3.64
    cyclohexanol 12.88
    benzyl alcohol 6.77
    2-ethylhexanol 1.97
    isooctanol 3.46
    dipropyl ether 2.67
    1,2-dichlorobenzene 0.94
    ethyl lactate 5.53
    propylene carbonate 6.34
    n-methylformamide 34.53
    2-pentanol 5.56
    n-pentane 0.29
    1-propoxy-2-propanol 12.98
    1-methoxy-2-propyl acetate 6.2
    2-(2-methoxypropoxy) propanol 17.15
    mesitylene 1.6
    ε-caprolactone 9.5
    p-cymene 1.09
    epichlorohydrin 14.75
    1,1,1-trichloroethane 0.75
    2-aminoethanol 58.48
    morpholine-4-carbaldehyde 58.74
    sulfolane 74.48
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 8.22
    n-hexyl acetate 2.77
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 27.33
    sec-butyl acetate 0.87
    tert-butyl acetate 4.34
    decalin 0.32
    glycerin 148.73
    diglyme 44.77
    acrylic acid 16.5
    isopropyl myristate 1.53
    n-butyric acid 14.11
    acetyl acetate 5.22
    di(2-ethylhexyl) phthalate 3.2
    ethyl propionate 1.43
    nitromethane 58.81
    1,2-diethoxyethane 6.06
    benzonitrile 2.22
    trioctyl phosphate 2.46
    1-bromopropane 0.64
    gamma-valerolactone 39.14
    n-decanol 2.86
    triethyl phosphate 2.06
    4-methyl-2-pentanol 3.06
    propionitrile 1.57
    vinylene carbonate 5.84
    1,1,2-trichlorotrifluoroethane 39.72
    DMS 3.57
    cumene 0.73
    2-octanol 2.27
    2-hexanone 1.7
    octyl acetate 2.29
    limonene 1.68
    1,2-dimethoxyethane 29.17
    ethyl orthosilicate 2.1
    tributyl phosphate 2.0
    diacetone alcohol 20.65
    N,N-dimethylaniline 3.4
    acrylonitrile 3.07
    aniline 5.35
    1,3-propanediol 106.2
    bromobenzene 0.58
    dibromomethane 0.61
    1,1,2,2-tetrachloroethane 3.23
    2-methyl-cyclohexyl acetate 2.27
    tetrabutyl urea 4.07
    diisobutyl methanol 1.94
    2-phenylethanol 5.01
    styrene 0.84
    dioctyl adipate 3.49
    dimethyl sulfate 21.84
    ethyl butyrate 1.42
    methyl lactate 21.47
    butyl lactate 4.68
    diethyl carbonate 1.13
    propanediol butyl ether 20.13
    triethyl orthoformate 2.22
    p-tert-butyltoluene 1.19
    methyl 4-tert-butylbenzoate 9.89
    morpholine 29.6
    tert-butylamine 2.01
    n-dodecanol 2.19
    dimethoxymethane 39.38
    ethylene carbonate 4.79
    cyrene 26.82
    2-ethoxyethyl acetate 4.64
    2-ethylhexyl acetate 0.9
    1,2,4-trichlorobenzene 1.44
    4-methylpyridine 4.0
    dibutyl ether 1.86
    2,6-dimethyl-4-heptanol 1.94
    DEF 16.86
    dimethyl isosorbide 25.38
    tetrachloroethylene 3.3
    eugenol 11.27
    triacetin 7.57
    span 80 14.71
    1,4-butanediol 23.3
    1,1-dichloroethane 0.5
    2-methyl-1-pentanol 3.21
    methyl formate 22.94
    2-methyl-1-butanol 5.59
    n-decane 0.5
    butyronitrile 2.69
    3,7-dimethyl-1-octanol 2.83
    1-chlorooctane 1.07
    1-chlorotetradecane 0.53
    n-nonane 0.45
    undecane 0.36
    tert-butylcyclohexane 0.17
    cyclooctane 0.76
    cyclopentanol 11.0
    tetrahydropyran 9.11
    tert-amyl methyl ether 2.61
    2,5,8-trioxanonane 41.52
    1-hexene 0.35
    2-isopropoxyethanol 18.05
    2,2,2-trifluoroethanol 29.2
    methyl butyrate 2.09

    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