[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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  • Identifiers

    CAS number
    140147-66-6

    Molecular formula
    C35H46O19

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.44%
    Vanilla 33.65%
    Sweet 27.66%
    Milky 23.58%
    Savory 23.28%
    Creamy 18.68%
    Spicy 18.11%
    Balsamic 17.17%
    Dairy 16.6%
    Bitter 16.21%

     

    Flavor
    Bitter 69.79%
    Odorless 37.98%
    Bland 34.38%
    Sweet-like 29.27%
    Very mild 21.8%
    Cedarleaf 20.26%
    Parsley 19.66%
    Very slight 19.56%
    Eugenol 19.39%
    Cauliflower 19.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.7

    pKa est.
    6.29 (neutral)

    Molecular weight
    770.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5976°C

    Flash point

    • 217.87 ˚C est.

  • Synonyms

    • Leonoside A
    • [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • 140147-66-6
    • beta-(3,4-Dihydroxyphenyl)-ethyl-O-alpha-L-arabinopyranosyl-(1-2)-alpha-L-rhamnopyranosyl-(1-3)-4-O-feruloyl-beta-D-glucopyranoside
    • 131862-11-8
    • DTXSID401099305
    • beta-D-Glucopyranoside, 2-(3,4-(dihydroxy)phenyl)ethyl O-alpha-L-arabinopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-, 4-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate)
    • I(2)-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-I+/--L-arabinopyranosyl-(1a2)-O-6-deoxy-I+/--L-mannopyranosyl-(1a3)-, 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
    • 140147-66-6

  • Applications

    The compound [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, CAS 140147-66-6, has a range of practical applications as an intermediate in pharmaceutical and nutraceutical synthesis, as an antioxidant and protective ingredient in cosmetics and personal care formulations, and as a UV-stabilizing additive or processing aid in polymers, coatings, and inks. It may also serve as a fragrance precursor or component in perfumery, reflecting the hydroxycinnamate and polyhydroxylated sugar motifs, with usage subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.24
    methanol 20.1
    isopropanol 2.08
    water 0.51
    ethyl acetate 2.3
    n-propanol 3.92
    acetone 6.56
    n-butanol 2.47
    acetonitrile 1.59
    DMF 40.7
    toluene 0.5
    isobutanol 1.22
    1,4-dioxane 12.97
    methyl acetate 3.3
    THF 23.05
    2-butanone 4.25
    n-pentanol 1.16
    sec-butanol 1.74
    n-hexane 0.02
    ethylene glycol 13.04
    NMP 36.35
    cyclohexane 0.06
    DMSO 93.83
    n-butyl acetate 0.39
    n-octanol 1.12
    chloroform 1.3
    n-propyl acetate 0.62
    acetic acid 25.52
    dichloromethane 1.7
    cyclohexanone 5.11
    propylene glycol 13.24
    isopropyl acetate 1.03
    DMAc 39.59
    2-ethoxyethanol 13.75
    isopentanol 0.95
    n-heptane 0.06
    ethyl formate 2.98
    1,2-dichloroethane 1.16
    n-hexanol 0.55
    2-methoxyethanol 40.57
    isobutyl acetate 0.22
    tetrachloromethane 0.19
    n-pentyl acetate 1.26
    transcutol 18.61
    n-heptanol 1.12
    ethylbenzene 0.13
    MIBK 0.87
    2-propoxyethanol 6.87
    tert-butanol 1.05
    MTBE 0.66
    2-butoxyethanol 5.72
    propionic acid 5.3
    o-xylene 0.31
    formic acid 40.42
    diethyl ether 1.61
    m-xylene 0.26
    p-xylene 0.12
    chlorobenzene 0.28
    dimethyl carbonate 5.88
    n-octane 0.05
    formamide 32.94
    cyclopentanone 11.39
    2-pentanone 3.03
    anisole 0.79
    cyclopentyl methyl ether 2.94
    gamma-butyrolactone 13.99
    1-methoxy-2-propanol 20.82
    pyridine 4.49
    3-pentanone 2.08
    furfural 12.25
    n-dodecane 0.03
    diethylene glycol 12.07
    diisopropyl ether 0.18
    tert-amyl alcohol 1.04
    acetylacetone 6.08
    n-hexadecane 0.04
    acetophenone 1.09
    methyl propionate 4.35
    isopentyl acetate 0.27
    trichloroethylene 2.37
    n-nonanol 1.12
    cyclohexanol 1.56
    benzyl alcohol 1.65
    2-ethylhexanol 0.24
    isooctanol 0.59
    dipropyl ether 0.72
    1,2-dichlorobenzene 0.26
    ethyl lactate 1.88
    propylene carbonate 2.92
    n-methylformamide 20.04
    2-pentanol 1.0
    n-pentane 0.05
    1-propoxy-2-propanol 3.74
    1-methoxy-2-propyl acetate 1.85
    2-(2-methoxypropoxy) propanol 4.1
    mesitylene 0.13
    ε-caprolactone 5.07
    p-cymene 0.09
    epichlorohydrin 10.52
    1,1,1-trichloroethane 0.33
    2-aminoethanol 12.14
    morpholine-4-carbaldehyde 37.69
    sulfolane 30.97
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.91
    n-hexyl acetate 1.4
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.33
    sec-butyl acetate 0.33
    tert-butyl acetate 0.84
    decalin 0.02
    glycerin 35.7
    diglyme 12.64
    acrylic acid 9.63
    isopropyl myristate 0.41
    n-butyric acid 4.77
    acetyl acetate 1.85
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 0.79
    nitromethane 32.67
    1,2-diethoxyethane 2.34
    benzonitrile 0.62
    trioctyl phosphate 0.55
    1-bromopropane 0.42
    gamma-valerolactone 32.35
    n-decanol 0.7
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.32
    propionitrile 1.06
    vinylene carbonate 3.58
    1,1,2-trichlorotrifluoroethane 19.87
    DMS 1.53
    cumene 0.07
    2-octanol 0.66
    2-hexanone 0.83
    octyl acetate 0.85
    limonene 0.17
    1,2-dimethoxyethane 10.06
    ethyl orthosilicate 0.36
    tributyl phosphate 0.42
    diacetone alcohol 3.86
    N,N-dimethylaniline 0.63
    acrylonitrile 2.32
    aniline 1.49
    1,3-propanediol 13.83
    bromobenzene 0.19
    dibromomethane 0.64
    1,1,2,2-tetrachloroethane 2.22
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.95
    diisobutyl methanol 0.15
    2-phenylethanol 0.81
    styrene 0.16
    dioctyl adipate 0.91
    dimethyl sulfate 13.18
    ethyl butyrate 0.5
    methyl lactate 10.75
    butyl lactate 2.2
    diethyl carbonate 0.31
    propanediol butyl ether 8.09
    triethyl orthoformate 0.6
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 2.19
    morpholine 16.64
    tert-butylamine 0.27
    n-dodecanol 0.42
    dimethoxymethane 22.72
    ethylene carbonate 2.45
    cyrene 7.76
    2-ethoxyethyl acetate 3.31
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.45
    4-methylpyridine 2.22
    dibutyl ether 0.64
    2,6-dimethyl-4-heptanol 0.15
    DEF 6.31
    dimethyl isosorbide 4.83
    tetrachloroethylene 1.51
    eugenol 2.42
    triacetin 2.95
    span 80 4.52
    1,4-butanediol 4.38
    1,1-dichloroethane 0.55
    2-methyl-1-pentanol 0.55
    methyl formate 16.04
    2-methyl-1-butanol 1.08
    n-decane 0.07
    butyronitrile 0.91
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.27
    1-chlorotetradecane 0.09
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 2.81
    tetrahydropyran 3.8
    tert-amyl methyl ether 0.84
    2,5,8-trioxanonane 9.12
    1-hexene 0.08
    2-isopropoxyethanol 4.3
    2,2,2-trifluoroethanol 9.98
    methyl butyrate 1.08

    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